HRID1561275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID66057

2-Methylpiperazine

C5H12N2

反应SMILES：Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2c(C)cccc2C)nc1Cl

HCID57531401

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2c(C)cccc2C)nc1N1CCNC(C)C1

HCID178424917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9737300283994a9da7cfe5538b9db9d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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