Dichloromethane → 4-[N'-(2,6-dichlorophenyl)ureido]-3-methylphenylacetic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 23512351tert-butyl 4-[N'-(2,6-dichlorophenyl)ureido]-3-methylphenylacetate

생성물 1

HCID 235122024-[N'-(2,6-dichlorophenyl)ureido]-3-methylphenylacetic acid

출처 및 근거

ORD 기록: ord-655fb140d2ea4362908c99a870614658
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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