HRID170518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

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(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

HCID9869737

CGP-74588

C28H29N7O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6508bc6e639b4b5197393441412fa663
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

[CH2:1]1[CH2:2][NH:3][CH2:4][CH2:5][NH:6]1.[CH3:38][CH2:39][OH:40].[Cl:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]2[cH:17][c:18]([NH:23][c:24]3[n:25][cH:26][cH:27][c:28](-[c:30]4[cH:31][n:32][cH:33][cH:34][cH:35]4)[n:29]3)[c:19]([CH3:22])[cH:20][cH:21]2)[cH:36][cH:37]1.[OH2:41]>>[CH2:1]1[CH2:2][N:3]([CH2:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([NH:23][c:24]4[n:25][cH:26][cH:27][c:28](-[c:30]5[cH:31][n:32][cH:33][cH:34][cH:35]5)[n:29]4)[c:19]([CH3:22])[cH:20][cH:21]3)[cH:36][cH:37]2)[CH2:4][CH2:5][NH:6]1