Water → 2-{2[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-phenyl}-3a,4,5,6,7,7a-hexahydro-1H-benzoimidazole

HRID 2346159

반응식

HRID 2346159 반응식
[CH2:1]([S:2][C:4](=[S:3])[c:5]1[c:6]([CH2:12][CH2:13][c:14]2[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([Br:20])[cH:19]2)[c:7]([Cl:11])[cH:8][cH:9][cH:10]1)[CH3:23].[NH2:24][CH:25]1[CH:26]([NH2:31])[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH2:32]>>[C:4]1([c:5]2[c:6]([CH2:12][CH2:13][c:14]3[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([Br:20])[cH:19]3)[c:7]([Cl:11])[cH:8][cH:9][cH:10]2)=[N:24][CH:25]2[CH:26]([CH2:27][CH2:28][CH2:29][CH2:30]2)[NH:31]1

참가 물질

4

반응물 3

HCID 962WaterHCID 46101,2-DiaminocyclohexaneHCID 206283942-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-dithiobenzoic acid ethyl ester

생성물 1

HCID 227447592-{2[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro-phenyl}-3a,4,5,6,7,7a-hexahydro-1H-benzoimidazole

출처 및 근거

ORD 기록
ord-0c7dd481911844a78b316a2ad02ae80c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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