HRID2339685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID263

1-Butanol

C4H10O

HCID887

Methanol

CH4O

HCID6896

2,6-Dimethylaniline

C8H11N

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：COc1cc2c(cc1OC)-c1cc(Cl)nc(=O)n1CC2

HCID4678720

2-Chloro-6,7-dihydro-9,10-dimethoxy-4H-pyrimido[6,1-a]isoquinolin-4-one

C14H13ClN2O3

PRODUCTS

产物

反应SMILES：COc1cc2c(cc1OC)-c1cc(Nc3c(C)cccc3C)nc(=O)n1CC2

HCID12788130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2be92c1c155f4d8796754e9eede8a97a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH2:44]([OH:45])[CH2:46][CH2:47][CH3:48].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])-[c:9]1[n:8]([c:18](=[O:19])[n:17][c:16]([Cl:20])[cH:15]1)[CH2:7][CH2:6]2.[CH3:21][c:22]1[cH:23][cH:24][cH:25][c:26]([CH3:27])[c:28]1[NH2:29].[CH3:42][OH:43].[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][CH3:14])-[c:9]1[n:8]([c:18](=[O:19])[n:17][c:16]([NH:29][c:28]3[c:22]([CH3:21])[cH:23][cH:24][cH:25][c:26]3[CH3:27])[cH:15]1)[CH2:7][CH2:6]2