HRID161738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75609

4-Bromophenyl isocyanate

C7H4BrNO

HCID5328148

未命名化合物

PRODUCTS

产物

HCID5328165

1-(4-Bromophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea

C28H29BrCl2N8O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8bed6c67cdc849f8aa41cfd0e738f30b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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