HRID155489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCOC(=O)CCC(C(=O)OCC)N1Cc2cc(N)ccc2C1=O

HCID22569851

未命名化合物

HCID135400976

9-bromomethyl-3-methylbenzo[f]quinazolin-1(2H)-one

C14H11BrN2O

PRODUCTS

生成物

结构：CCOC(=O)CCC(C(=O)OCC)N1Cc2cc(NCc3ccc4ccc5nc(C)[nH]c(=O)c5c4c3)ccc2C1=O

HCID136420842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2181c3cc50a4ed18770268008ef4f77
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

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]3[c:9](=[O:17])[nH:10][c:11]([CH3:16])[n:12][c:13]3[cH:14][cH:15]2)[cH:18]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:57][CH2:58][OH:59].[NH2:19][c:20]1[cH:21][c:22]2[c:26]([cH:27][cH:28]1)[C:25](=[O:29])[N:24]([CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:23]2.[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]3[c:9](=[O:17])[nH:10][c:11]([CH3:16])[n:12][c:13]3[cH:14][cH:15]2)[cH:18]1)[NH:19][c:20]1[cH:21][c:22]2[c:26]([cH:27][cH:28]1)[C:25](=[O:29])[N:24]([CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH2:23]2