HRID113019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID3870273

2-(4-Chlorophenyl)piperazine

C10H13ClN2

HCID11276081

4(3H)-Pyrimidinone, 2-chloro-3-methyl-6-(4-pyridinyl)-

C10H8ClN3O

HCID178517810

未命名化合物

PRODUCTS

生成物

结构：Cn1c(N2CCNC(c3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O

HCID11315047

2-[3-(4-Chlorophenyl)-1-piperazinyl]-3-methyl-6-(4-pyridinyl)-4(3H)-pyrimidinone

C20H20ClN5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6acde095619443cc8b8800b45cb0630d
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

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