HRID1145809

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)OCc1ccc(OC)cc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1

HCID20141910

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)COc2ccccc2)C1SS(=O)(=O)c1ccccc1

HCID14365932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fdea2b0e31c848508d1069165cba439f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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:27]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]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][cH:23][cH:24][c:25]2[n:26]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:27]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]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]