Dichloromethane → 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-[4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-1H-benzoimidazole-4-carboxylic acid

반응식

[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10]([CH2:30][C:31]([NH:32][c:33]3[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)=[O:40])[c:11]([C:14]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:28])[CH2:24][O:25][CH2:26][CH2:27]4)[cH:20][cH:21]3)=[O:29])[n:12][c:13]12.[Cl:41][CH2:42][Cl:43]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10]([CH2:30][C:31]([NH:32][c:33]3[n:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)=[O:40])[c:11]([C:14]([NH:15][c:16]3[cH:17][cH:18][c:19]([N:22]4[C:23](=[O:28])[CH2:24][O:25][CH2:26][CH2:27]4)[cH:20][cH:21]3)=[O:29])[n:12][c:13]12

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 112038141-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-[4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-1H-benzoimidazole-4-carboxylic acid methyl ester

생성물 1

HCID 230334421-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-[4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-1H-benzoimidazole-4-carboxylic acid

출처 및 근거

ORD 기록: ord-566c4433c42a4e78b73e8e2bebc9af43
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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