HRID1145076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID784

Hydrogen peroxide

H2O2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID23994

Zinc

结构：CSCCCNC(=O)C1NC(CC(C)(C)C)C(C#N)(c2ccc(Cl)cc2)C1c1cccc(Cl)c1

HCID77261880

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC1NC(C(=O)NCCCS(C)(=O)=O)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

HCID75096416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63052100470e44f08fda9d8796fe84ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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