HRID1552117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID9005

Trimethoxymethane

C4H10O3

结构：COCOc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1C=O

HCID86628293

未命名化合物

PRODUCTS

生成物

结构：COCOc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1C(OC)OC

HCID68492039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99904ca99cb24c98a2224b08e1037e98
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

[CH3:49][OH:50].[CH:1](=[O:2])[c:3]1[c:4]([O:21][CH2:22][O:23][CH3:24])[cH:5][c:6]([C:7](=[O:8])[NH:9][C:10]([CH3:11])([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH3:18])[cH:19][cH:20]1.[CH:25]([O:26][CH3:27])([O:28][CH3:29])[O:30][CH3:31].[Na+:44].[OH2:32].[OH2:51].[OH:45][C:46](=[O:47])[O-:48].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[c:3]1([CH:25]([O:28][CH3:29])[O:30][CH3:31])[c:4]([O:21][CH2:22][O:23][CH3:24])[cH:5][c:6]([C:7](=[O:8])[NH:9][C:10]([CH3:11])([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH3:18])[cH:19][cH:20]1