Trifluoroacetic acid → 4-Chloro-N-(4-chloro-2-methoxy-6-methylphenyl)-7-(1-isopropyl-2-methylprop-1-en-1-yl)-1-methyl-1H-benzimidazol-2-amine

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:23]([CH:24]([CH3:25])[CH3:26])([CH:27]([CH3:28])[CH3:29])[OH:30])[c:6]2[n:7]([CH3:22])[c:8]([NH:11][c:12]3[c:13]([O:20][CH3:21])[cH:14][c:15]([Cl:19])[cH:16][c:17]3[CH3:18])[n:9][c:10]12.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:23](=[C:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[c:6]2[n:7]([CH3:22])[c:8]([NH:11][c:12]3[c:13]([O:20][CH3:21])[cH:14][c:15]([Cl:19])[cH:16][c:17]3[CH3:18])[n:9][c:10]12

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 580123753-{4-Chloro-2-[(4-chloro-2-methoxy-6-methylphenyl)amino]-1-methyl-1H-benzimidazol-7-yl}-2,4-dimethylpentan-3-ol

생성물 1

HCID 580123454-Chloro-N-(4-chloro-2-methoxy-6-methylphenyl)-7-(1-isopropyl-2-methylprop-1-en-1-yl)-1-methyl-1H-benzimidazol-2-amine

출처 및 근거

ORD 기록: ord-fb4b9e517f5d433c8f0f48e21feb39cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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