HRID814393

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID5291

Imatinib

C29H31N7O

HCID70136

4-(Chloromethyl)benzoyl chloride

C8H6Cl2O

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID10181075

4-(Chloromethyl)-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

C24H20ClN5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-330a093e0543473ab7ded7d89f5ae424
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([CH3:22])[c:23]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29](-[c:31]5[cH:32][cH:33][cH:34][n:35][cH:36]5)[n:30]4)[cH:37]3)[cH:13][cH:14]2)[CH2:6][CH2:7]1.[Cl:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([C:44]([Cl:45])=[O:46])[cH:47][cH:48]1>>[CH2:8]([c:9]1[cH:10][cH:11][c:12]([C:15](=[O:16])[NH:17][c:18]2[cH:19][cH:20][c:21]([CH3:22])[c:23]([NH:24][c:25]3[n:26][cH:27][cH:28][c:29](-[c:31]4[cH:32][cH:33][cH:34][n:35][cH:36]4)[n:30]3)[cH:37]2)[cH:13][cH:14]1)[Cl:38]