HRID700950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID75329

Benzenecarboperoxoic acid, 2-carboxy-

C8H6O5

HCID5462224

Magnesium

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCSCC1

HCID59752302

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCS(=O)CC1

HCID69288447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de07cdd8d0e4c22a87680c307bb63fa
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:35]([O:36][OH:37])(=[O:38])[c:39]1[c:40]([C:45]([OH:46])=[O:47])[cH:41][cH:42][cH:43][cH:44]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][S:14][CH2:15][CH2:16]1)[C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([CH3:25])[CH2:23][CH2:24]1.[CH3:32][CH2:33][OH:34].[Mg:48].[OH2:49]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:8][c:9]1[N:10]([CH:11]1[CH2:12][CH2:13][S:14](=[O:34])[CH2:15][CH2:16]1)[C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([CH3:25])[CH2:23][CH2:24]1