2-Methoxyethanol → 2-Methoxyethyl 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate

반응식

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

참가 물질

반응물 2

HCID 80192-Methoxyethanol

HCID 113754531-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid

생성물 1

HCID 686172702-Methoxyethyl 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate

출처 및 근거

ORD 기록: ord-ac98b22acee84b67a953f6d088a916d1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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