HRID165069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID135437466

Ethyl 4-oxo-1,4-dihydroquinazoline-2-carboxylate

C11H10N2O3

HCID178509870

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccc(OCCSc2nc[nH]n2)c1)c1nc2ccccc2c(=O)[nH]1

HCID178522988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d498643a6691495eabd6831243758881
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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