Dimethylformamide → 1-[4-(6-Amino-pyrimidin-4-ylmethyl)-phenyl]-3-(4-chloro-3-trifluoromethyl-phenyl)-urea

반응식

[Cl:27][c:28]1[c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([N:34]=[C:35]=[O:36])[cH:32][cH:33]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16]([NH:17][c:18]3[cH:19][cH:20][c:21]([CH2:22][CH3:23])[cH:24][cH:25]3)=[O:26])[cH:13][cH:14]2)[n:5][cH:6][n:7]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[NH2:1][c:2]1[cH:3][c:4]([CH2:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:35]([NH:34][c:31]3[cH:30][c:29]([C:37]([F:38])([F:39])[F:40])[c:28]([Cl:27])[cH:33][cH:32]3)=[O:36])[cH:13][cH:14]2)[n:5][cH:6][n:7]1

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzene

HCID 58659424HCID 58659424, 화합물

생성물 1

HCID 586593841-[4-(6-Amino-pyrimidin-4-ylmethyl)-phenyl]-3-(4-chloro-3-trifluoromethyl-phenyl)-urea

출처 및 근거

ORD 기록: ord-4fe54a91ca6548b5b2325c3e0ec67c29
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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