5-Isocyanato-1,2,3-trimethoxybenzene → 1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(3,4,5-trimethoxy-phenyl)-urea

반응식

[CH3:16][O:17][c:18]1[cH:19][c:20]([N:28]=[C:29]=[O:30])[cH:21][c:22]([O:26][CH3:27])[c:23]1[O:24][CH3:25].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH2:15])[cH:14]2)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:15][C:29]([NH:28][c:20]3[cH:19][c:18]([O:17][CH3:16])[c:23]([O:24][CH3:25])[c:22]([O:26][CH3:27])[cH:21]3)=[O:30])[cH:14]2)[cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 5177665-Isocyanato-1,2,3-trimethoxybenzene

HCID 66669982N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine

생성물 1

HCID 577104271-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(3,4,5-trimethoxy-phenyl)-urea

출처 및 근거

ORD 기록: ord-60399a90479249daa55904f8642a5f15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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