Dichloromethane → 4-[N'-(2-fluorophenyl)ureido]-3-methylphenylacetic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 23512195tert-butyl 4-[N'-(2-fluorophenyl)ureido]-3-methylphenylacetate

생성물 1

HCID 235121124-[N'-(2-fluorophenyl)ureido]-3-methylphenylacetic acid

출처 및 근거

ORD 기록: ord-8ac2b90052f14e5b95d7a4e96b1b4bb9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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