HRID125827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

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

PRODUCTS

生成物

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

HCID5291

Imatinib

C29H31N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59c178d093644ada8b89fd56b0d7d294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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