Dichloromethane → 1-(2,5-Dimethyl-3-chloro-4-hydroxyphenyl)-3-(2,6-difluorobenzoyl)urea

반응식

[CH3:1][c:2]1[c:3]([OH:11])[c:4]([Cl:10])[c:5]([CH3:9])[c:6]([NH2:8])[cH:7]1.[Cl:25][CH2:26][Cl:27].[F:12][c:13]1[c:14]([C:15](=[O:16])[N:17]=[C:18]=[O:19])[c:20]([F:24])[cH:21][cH:22][cH:23]1>>[CH3:1][c:2]1[c:3]([OH:11])[c:4]([Cl:10])[c:5]([CH3:9])[c:6]([NH:8][C:18]([NH:17][C:15]([c:14]2[c:13]([F:12])[cH:23][cH:22][cH:21][c:20]2[F:24])=[O:16])=[O:19])[cH:7]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 27333692,6-Difluorobenzoyl isocyanate

HCID 142756052,5-Dimethyl-6-chloro-4-aminophenol

생성물 1

HCID 142756061-(2,5-Dimethyl-3-chloro-4-hydroxyphenyl)-3-(2,6-difluorobenzoyl)urea

출처 및 근거

ORD 기록: ord-e95cd547608643668633bbe449226798
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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