HRID1209442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID6212

Chloroform

CHCl3

HCID6343

Ethanethiol

C2H6S

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID104727

Aluminum Cation

Al+3

结构：COc1cc2c(c(C(C)C)c1OC)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O

HCID44341378

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(c(C(C)C)c1O)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O

HCID67596278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abea63d3ae6a418f8df425a0d37a83f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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