HRID1225012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID151620

Benzoic acid, 3-(acetyloxy)-4-methoxy-

C10H10O5

HCID45074057

Methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate

C11H13NO2

PRODUCTS

生成物

结构：COC(=O)C1(NC(=O)c2ccc(OC)c(OC(C)=O)c2)Cc2ccccc2C1

HCID67076574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6f99e0f2ef34b7fa455835cc07aae6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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