HRID2134425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID3857574

Benzenesulfinate

C6H5O2S-

HCID10313279

Benzenesulfonyl cyanide

C7H5NO2S

结构：C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2cc(OC)ccc2s1

HCID14830337

未命名化合物

PRODUCTS

生成物

结构：C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID13170072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c9b11a899d547cdadccb7dd26de59a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:65][C:66](=[O:67])[CH3:68].[Na+:64].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH:29]([C:30](=[O:31])[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[C:40](=[CH2:41])[CH3:42])[CH:15]1[S:16][S:17][c:18]1[s:19][c:20]2[cH:21][cH:22][c:23]([O:24][CH3:25])[cH:26][c:27]2[n:28]1.[c:44]1([S:50](=[O:51])(=[O:52])[C:53]#[N:54])[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:55]1([S:56]([O-:57])=[O:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH:29]([C:30](=[O:31])[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[C:40](=[CH2:41])[CH3:42])[CH:15]1[S:16][S:50]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)(=[O:51])=[O:52]