Water → 3-(2,4-Dichlorobenzyl)-5-(1-pentanesulfonylcarbamoyl)indole

HRID 110672

반응식

HRID 110672 반응식
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([CH2:13][c:14]3[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:8][nH:9][c:10]2[cH:11][cH:12]1.[C:22]1([C:23]2=[CH:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)=[N:43][NH:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1.[CH2:44]([CH2:45][CH2:46][CH2:47][CH3:48])[S:49](=[O:50])(=[O:51])[NH2:52].[OH2:53]>>[C:1](=[O:3])([c:4]1[cH:5][c:6]2[c:7]([CH2:13][c:14]3[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:8][nH:9][c:10]2[cH:11][cH:12]1)[NH:52][S:49]([CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])(=[O:50])=[O:51]

참가 물질

5

출처 및 근거

ORD 기록
ord-301e91d9a0fe40b9bad0d117707ae30f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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