HRID813171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID10558

1-Propanethiol, 2-methyl-

C4H10S

HCID32051

Zinc (II) cation

Zn+2

结构：CS(=O)(=O)C1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID12590459

未命名化合物

PRODUCTS

生成物

结构：CC(C)CSC1NC(=O)C1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID18425143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b02f54a5ca7c4fdf8e72c7360e7a9ced
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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