HRID1553348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID22170204

未命名化合物

HCID22170214

4-Amino-2,3-dihydro-1H-inden-1-one

C9H9NO

PRODUCTS

生成物

结构：COc1cc2ncc(C(N)=O)c(Nc3cccc4c3CCC4=O)c2cc1OC

HCID22170264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f65024444a9f464bab0a8d5a900fd08d
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

[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[c:3]([C:16](=[O:17])[NH2:18])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[NH2:19][c:20]1[c:21]2[c:25]([cH:26][cH:27][cH:28]1)[C:24](=[O:29])[CH2:23][CH2:22]2.[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[c:2]1([NH:19][c:20]2[c:21]3[c:25]([cH:26][cH:27][cH:28]2)[C:24](=[O:29])[CH2:23][CH2:22]3)[c:3]([C:16](=[O:17])[NH2:18])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12