HRID1140460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID79196

Piperazine, 1-ethyl-

C6H14N2

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：CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

HCID10301001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3b56495053c4a9ca1c474c76079b765
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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