Methanol → 2-(4-{[2-Amino-5-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

반응식

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][C:12]([O:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[c:24]([N+:34]([O-:35])=[O:36])[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([Cl:29])[cH:28]3)[cH:20][cH:21]2)=[O:37])[cH:6][cH:7]1.[CH3:38][OH:39]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][C:12]([O:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([NH:22][c:23]3[c:24]([NH2:34])[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([Cl:29])[cH:28]3)[cH:20][cH:21]2)=[O:37])[cH:6][cH:7]1

참가 물질

반응물 2

HCID 887Methanol

HCID 866115002-(4-{[5-Chloro-2-nitro-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

생성물 1

HCID 866115012-(4-{[2-Amino-5-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)ethyl (4-methylphenyl)sulfonylcarbamate

출처 및 근거

ORD 기록: ord-4de598df4333498d96db4654cd2af565
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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