HRID1205870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3857574

Benzenesulfinate

C6H5O2S-

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

HCID53887708

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-237762baaecb48d5a0904250d6b8e13b
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

[CH3:73][C:74](=[O:75])[CH3:76].[Na+:72].[OH2:62].[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]2[s:53][c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]3[n:60]2)=[S:61])[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:63]1([S:64]([O-:65])=[O:66])[cH:67][cH:68][cH:69][cH:70][cH:71]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:51][S:49]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)(=[O:50])=[O:61])[cH:2][cH:3][cH:4][cH:5][cH:6]1