Cyclopropanemethanol → 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid cyclopropylmethyl ester

HRID 1229262

반응식

HRID 1229262 반응식
[CH:36]1([CH2:39][OH:40])[CH2:37][CH2:38]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]4[CH2:33][CH2:34]4)[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]4[CH2:33][CH2:34]4)[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][CH:36]2[CH2:37][CH2:38]2)=[O:23])[n:6][cH:7]1

참가 물질

3

반응물 2

HCID 75644CyclopropanemethanolHCID 686159901-[(5-chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid

생성물 1

HCID 670128461-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid cyclopropylmethyl ester

출처 및 근거

ORD 기록
ord-44114bf87a3340bca403bc1d8b2ab237
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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