4-(4-Methylsulfonylphenyl)benzoic acid → N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4'-(methylsulfonyl)[1,1'-biphenyl]-4-carboxamide

반응식

[CH3:17][S:18](=[O:19])(=[O:20])[c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([C:33](=[O:34])[OH:35])[cH:31][cH:32]2)[cH:25][cH:26]1.[CH:1]1([c:4]2[n:5][c:6]3[n:7]([cH:8][c:9]([N+:12]([O-:13])=[O:14])[cH:10][cH:11]3)[c:15]2[CH3:16])[CH2:2][CH2:3]1>>[CH:1]1([c:4]2[n:5][c:6]3[n:7]([cH:8][c:9]([NH:12][C:33]([c:30]4[cH:29][cH:28][c:27](-[c:24]5[cH:23][cH:22][c:21]([S:18]([CH3:17])(=[O:19])=[O:20])[cH:26][cH:25]5)[cH:32][cH:31]4)=[O:34])[cH:10][cH:11]3)[c:15]2[CH3:16])[CH2:2][CH2:3]1

참가 물질

반응물 2

HCID 201001084-(4-Methylsulfonylphenyl)benzoic acid

HCID 231205162-Cyclopropyl-3-methyl-6-nitroimidazo[1,2-a]pyridine

생성물 1

HCID 23120509N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4'-(methylsulfonyl)[1,1'-biphenyl]-4-carboxamide

출처 및 근거

ORD 기록: ord-2a6ebac87a6446cc87ea6b0b9dd70428
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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