Chloroform → 2-({[2-[(4-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)-4,5-dichlorobenzoic acid

HRID 117837

반응식

HRID 117837 반응식
[CH:41]([Cl:42])([Cl:43])[Cl:44].[Cl:28][c:29]1[cH:30][c:31]2[c:32]([cH:38][c:39]1[Cl:40])[C:33](=[O:34])[O:35][C:36]2=[O:37].[NH2:1][c:2]1[c:3]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:26][cH:27]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[NH:1]([c:2]1[c:3]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:26][cH:27]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1)[C:33]([c:32]1[c:31]([C:36](=[O:35])[OH:37])[cH:30][c:29]([Cl:28])[c:39]([Cl:40])[cH:38]1)=[O:34]

참가 물질

4

반응물 3

HCID 6212ChloroformHCID 703344,5-Dichlorophthalic anhydrideHCID 22339357Tert-butyl 4-{[2-amino-4-(trifluoromethyl)phenyl]amino}benzylcarbamate

생성물 1

HCID 223393592-({[2-[(4-{[(Tert-butoxycarbonyl)amino]methyl}phenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)-4,5-dichlorobenzoic acid

출처 및 근거

ORD 기록
ord-68ab10c757d94c198d1c0fb7ab148e44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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