HRID670464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID69175

2,4-Dimethoxybenzaldehyde

C9H10O3

HCID720669

5-Aminophthalide

C8H7NO2

HCID2724942

未命名化合物

PRODUCTS

生成物

HCID22061523

5-{[(2,4-Dimethoxyphenyl)methyl]amino}-2-benzofuran-1(3H)-one

C17H17NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0ed7a2d6db141de9e51e01af26cfd5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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