HRID2339974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

反应SMILES：COC(=O)c1ccc(S(=O)(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC)c(OCc2ccccc2)c1

HCID87967171

未命名化合物

PRODUCTS

产物

反应SMILES：CON(C)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)O)cc1OCc1ccccc1

HCID87967453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8a837ef4662545128bfcc789f150a36f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:7]([S:10]([NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21]([N:22]([CH3:23])[O:24][CH3:25])=[O:26])(=[O:27])=[O:28])[cH:8][cH:9]1)=[O:37].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Li+:38].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH-:39].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:7]([S:10]([NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21]([N:22]([CH3:23])[O:24][CH3:25])=[O:26])(=[O:27])=[O:28])[cH:8][cH:9]1)[OH:37]