HRID2332878

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

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(CN3CC[N+](C)([O-])CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID29982268

4-[(4-Methyl-4-oxo-4lambda~5~-piperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

C29H31N7O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ebe6032ba1b4e1da7e5d16f9eef4920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:12][N:13]1[CH2:14][CH2:15][N:16]([CH2:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][c:27]3[cH:28][c:29]([NH:34][c:35]4[n:36][cH:37][cH:38][c:39](-[c:41]5[cH:42][n:43][cH:44][cH:45][cH:46]5)[n:40]4)[c:30]([CH3:33])[cH:31][cH:32]3)[cH:47][cH:48]2)[CH2:17][CH2:18]1.[Cl:49][CH2:50][Cl:51].[OH:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][cH:10]1)=[O:11]>>[O-:1][N+:13]1([CH3:12])[CH2:14][CH2:15][N:16]([CH2:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[NH:26][c:27]3[cH:28][c:29]([NH:34][c:35]4[n:36][cH:37][cH:38][c:39](-[c:41]5[cH:42][n:43][cH:44][cH:45][cH:46]5)[n:40]4)[c:30]([CH3:33])[cH:31][cH:32]3)[cH:47][cH:48]2)[CH2:17][CH2:18]1