1,3-Dichloro-2-isocyanatobenzene → 1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dichloro-Phenyl)-urea

반응식

[Cl:16][c:17]1[c:18]([N:24]=[C:25]=[O:26])[c:19]([Cl:23])[cH:20][cH:21][cH:22]1.[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:25]([NH:24][c:18]3[c:17]([Cl:16])[cH:22][cH:21][cH:20][c:19]3[Cl:23])=[O:26])[cH:14]2)[cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 6045371,3-Dichloro-2-isocyanatobenzene

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

생성물 1

HCID 577102231-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dichloro-Phenyl)-urea

출처 및 근거

ORD 기록: ord-c4a7be0f9b3d4a1f861b93cdeab23cde
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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