HRID121234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID277296

4-Methylbenzene-1-sulfinate

C7H7O2S-

HCID12293966

未命名化合物

HCID54107285

未命名化合物

PRODUCTS

产物

HCID13530973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2686b0b561874ac394a1f0c9ccad6982
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:67][C:68](=[O:69])[CH3:70].[Na+:66].[OH2:55].[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[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:35]1([CH3:54])[cH:36][cH:37][c:38]([S:41](=[O:42])([O:43][c:44]2[s:45][c:46]3[cH:47][cH:48][cH:49][cH:50][c:51]3[n:52]2)=[S:53])[cH:39][cH:40]1.[c:56]1([CH3:57])[cH:58][cH:59][c:60]([S:61]([O-:62])=[O:63])[cH:64][cH:65]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:10][CH:11]2[C:12](=[O:34])[N:13]([CH:26]([C:27](=[O:28])[O:29][CH3:30])[C:31](=[CH2:32])[CH3:33])[CH:14]2[S:43][S:41]([c:38]2[cH:37][cH:36][c:35]([CH3:54])[cH:40][cH:39]2)(=[O:42])=[O:53])[cH:2][cH:3][cH:4][cH:5][cH:6]1