HRID1556615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：C=C(CCl)C1NC(=O)C1C(C)OC(=O)OCc1ccccc1

HCID178448404

未命名化合物

PRODUCTS

生成物

结构：C=C(CO)C1NC(=O)C1C(C)OC(=O)OCc1ccccc1

HCID178458951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cd284845a6d410cafaf5fca19ff1925
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

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