Water → 3-(1-cyanocyclopropyl)-N-{3-[(6-{[(4-methylphenyl)sulfonyl]amino}pyridin-3-yl)oxy]phenyl}benzamide

HRID 160651

반응식

HRID 160651 반응식
[CH3:29][c:30]1[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16]([c:17]3[cH:18][c:19]([C:23]4([C:26]#[N:27])[CH2:24][CH2:25]4)[cH:20][cH:21][cH:22]3)=[O:28])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1.[OH2:40].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16]([c:17]3[cH:18][c:19]([C:23]4([C:26]#[N:27])[CH2:24][CH2:25]4)[cH:20][cH:21][cH:22]3)=[O:28])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1)[S:36]([c:33]1[cH:32][cH:31][c:30]([CH3:29])[cH:35][cH:34]1)(=[O:37])=[O:38]

참가 물질

5

출처 및 근거

ORD 기록
ord-b794746ee6e248109b4707ad7ba69124
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…