HRID209156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID498716

未命名化合物

HCID22394489

2-Chloro-N-4-piperidinyl-4-pyrimidinamine

C9H13ClN4

HCID25242058

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CN2CCC(Nc3ccnc(Cl)n3)CC2)ccc1C

HCID86618539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-225a15ec55904eeb8fedead694da55e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:42]([BH3-:43])#[N:44].[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH2:30]([CH3:31])[O:32][c:33]1[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39][c:40]1[CH3:41].[CH3:17][C:18](=[O:19])[OH:20].[CH3:46][CH2:47][OH:48].[Cl:3][c:4]1[n:5][cH:6][cH:7][c:8]([NH:10][CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[n:9]1.[ClH:1].[ClH:2].[Na+:45]>>[Cl:3][c:4]1[n:5][cH:6][cH:7][c:8]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:36][c:35]3[cH:34][c:33]([O:32][CH2:30][CH3:31])[c:40]([CH3:41])[cH:39][cH:38]3)[CH2:15][CH2:16]2)[n:9]1