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基于 PubChem CID 索引，支持名称 / 同义词 / CAS / SMILES 检索。
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Step 1. PubChem CID 118664257
CCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc([C@@H](O)C(F)(F)F)n4)c3c2)n1 -
Step 1. Synthesis of 2-bromo-6-fluoro-4-hydroxybenzaldehyde PubChem CID 118664488
C[C@H](N)c1cccc(-c2cc(-n3cccn3)c3cnn(-c4cccc(CO)n4)c3c2)n1 -
Step 1. Synthesis of 1-(6-bromopyridin-2-yl)-2-fluoropropan-1-one PubChem CID 118670702
COCCOc1cc(-c2cccc([C@@H](N)C(C)F)n2)cc2c1cnn2-c1cccc(CO)n1 -
Step 1. Synthesis of 1-(6-bromopyridin-2-yl)-2-fluorobutan-1-one PubChem CID 118670705
CCOc1cc(-c2cccc([C@@H](N)[C@H](F)CC)n2)cc2c1cnn2-c1cccc(CO)n1 -
Step 4: cis-4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid ((1R,2R)-2-hydroxy-cyclohexylmethyl)-amide PubChem CID 121406332
O=C(NC[C@H]1CCCC[C@H]1O)c1cn(C2COC2)c2cccc(Cl)c12 -
Step 1: Synthesis of 5-Methyl-1-tetrahydropyran-4-yl-pyrazole PubChem CID 122498421
Cc1nn(C2CCOCC2)cc1-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CNC(=O)C2)n1 -
Step 1: 6-bromo-2-methyl-4-nitro-1-(1-phenylethyl)benzimidazole PubChem CID 122623627
Cc1cc(-c2cc(NS(C)(=O)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O -
Step 1: Preparation of 3-[[(6-chloro-5-nitro-2-propylsulfanyl-pyrimidin-4-yl)amino]methyl]benzonitrile PubChem CID 122671670
CCCSc1nc(Cl)c([N+](=O)[O-])c(NCc2cccc(C#N)c2)n1 -
Step 1. 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide PubChem CID 130246989
N[C@@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)C1(F)CCC1 -
Step 1. 1-fluoro-N-methoxy-N-methylcyclobutane-1-carboxamide PubChem CID 130247873
N[C@H](c1cccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1)C1(F)CCC1 -
Step 1: (2S)-1-(4-(3-Cyano-1-((R)-1-(2,4-dichlorophenyl)ethyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl)-6-methylcyclohex PubChem CID 134325162
CC1CC(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)=CCC1N1CCC[C@H]1C(N)=O -
Step 1: Mixture of (R)-1-(4-(2-(5-((2,4-dimethoxybenzyl)amino)-9-fluoro-8-methoxy-[0.2.4]triazolo[1,5 PubChem CID 146650486
COc1cc2nc(N)n3nc([C@H]4CN(c5cn(CC(C)(C)O)nc5C)CCO4)nc3c2cc1F -
Step 1: 4-nitro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazole PubChem CID 146650749
COc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn(C6CCC(C)(O)CC6)c5)C4)nc3c2cc1F -
Step 1: rac-1-(4-((3R,5R or 3S,5S)-3-(5-((2,4-dimethoxybenzyl)amino)-9-fluoro-8-methoxy-[1,2,4]triazolo PubChem CID 146650979
COc1cc2nc(N)n3nc([C@@H]4C[C@@H](F)CN(c5cnn(CC(C)(C)O)c5)C4)nc3c2cc1F -
Step 1: mixture of (R)—N-(2,4-dimethoxybenzyl)-9-fluoro-8-methoxy-2-(1-(3-methyl-1-((methylthio) PubChem CID 146651097
COc1cc2nc(N)n3nc([C@@H]4CCCN(c5cn(CS(C)(=O)=O)nc5C)C4)nc3c2cc1F -
Step 1: (R or S)-3-(4-((2S,5R or 2R,5S)-5-(5-((2,4-dimethoxybenzylamino)-9-fluoro-8-methoxy-[1,2,4]triazolo PubChem CID 153600760
COc1cc2nc(N)n3nc(C4CCC(C)N(c5cnn(C(C)C(C)(C)O)c5)C4)nc3c2cc1F -
acid (intermediate A-8) and 2-chloro-4- (methylaminomethyl) benzonitrile hydrochloride (example 56, step PubChem CID 155818392
CC(=O)N1CCC(C2CCC3NCN(CC(=O)N(C)Cc4ccc(C#N)c(Cl)c4)C(=O)C3C2)CC1 -
acid (intermediate A-8) and 2-chloro-5- (methylaminomethyl) benzonitrile hydrochloride (example 57, step PubChem CID 155818393
CC(=O)N1CCC(C2CCC3NCN(CC(=O)N(C)Cc4ccc(Cl)c(C#N)c4)C(=O)C3C2)CC1 -
2-[6-(1-tert-Butoxycarbonyl-4- piperidyl)-4-oxoquinazolin-3- yl]acetic acid (intermediate A-8, step PubChem CID 155818426
CC(=O)N1CCC(C2CCC3NCN(CC(=O)NCc4ccc(F)c(C(F)(F)F)c4)C(=O)C3C2)CC1 -
2-[6-(1-tert-Butoxycarbonyl-4- piperidyl)-4-oxoquinazolin-3- yl]acetic acid (intermediate A-8, step PubChem CID 155818427
CC(=O)N1CCC(C2CCC3NCN(CC(=O)NCc4ccc(Cl)c(C(F)(F)F)c4)C(=O)C3C2)CC1