1-(Pyrrolidin-2-yl)ethan-1-ol → 1-(1-(6-(4-Methanesulfonyl-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidin-2-yl)-ethanol

HRID 2324060

반응식

HRID 2324060 반응식
[CH2:1]([O:2][C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][c:35]1[O:36][c:9]1[cH:10][c:11]2[c:12]([nH:13][c:14](-[c:16]3[n:17][cH:18][cH:19][cH:20][cH:21]3)[n:15]2)[cH:22][c:23]1[O:24][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]1)=[O:37])[CH3:38].[NH:39]1[CH:40]([CH:44]([CH3:45])[OH:46])[CH2:41][CH2:42][CH2:43]1>>[c:9]1([N:39]2[CH:40]([CH:44]([CH3:45])[OH:46])[CH2:41][CH2:42][CH2:43]2)[cH:10][c:11]2[c:12]([n:13][c:14](-[c:16]3[n:17][cH:18][cH:19][cH:20][cH:21]3)[nH:15]2)[cH:22][c:23]1[O:24][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]1

참가 물질

3

반응물 2

HCID 101299301-(Pyrrolidin-2-yl)ethan-1-olHCID 231451405-(2-Ethoxycarbonyl-phenoxy)-6-(4-methanesulfonyl-phenoxy)-2-pyridin-2-yl-1H-benzimidazole

생성물 1

HCID 231453781-(1-(6-(4-Methanesulfonyl-phenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl)-pyrrolidin-2-yl)-ethanol

출처 및 근거

ORD 기록
ord-3d4189f4e9f64dc480ffd4bb3d5f7342
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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