HRID2315676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID79776

Tosylacetonitrile

C9H9NO2S

HCID57975359

未命名化合物

PRODUCTS

生成物

结构：CSc1ccsc1-c1ccc(C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1

HCID69020176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0acefc8b185b4cf08cc8bec2a650bb33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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