HRID950025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID10313279

Benzenesulfonyl cyanide

C7H5NO2S

结构：C=C(C)C(C(=O)OCc1ccc(OC)cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SSc1nc2ccccc2s1

HCID13530971

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C(C(=O)OCc1ccc(OC)cc1)N1C(=O)C(NC(=O)Cc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID11039241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd40245b43e4d7f9088f2dc4221b3aa
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:55][C:56]#[N:57].[OH2:54].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:42])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]3)[C:39](=[CH2:40])[CH3:41])[CH:14]2[S:15][S:16][c:17]2[s:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[n:25]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:43]1([S:49](=[O:50])(=[O:51])[C:52]#[N:53])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:42])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH2:30][c:31]3[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]3)[C:39](=[CH2:40])[CH3:41])[CH:14]2[S:15][S:49]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)(=[O:50])=[O:51])[cH:2][cH:3][cH:4][cH:5][cH:6]1