HRID190855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID6802348

未命名化合物

HCID11182954

3-Bromo-1-methylpyrrolidin-2-one

C5H8BrNO

PRODUCTS

生成物

结构：CCOC(=O)C(=NOC1CCN(C)C1=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54027702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-becd6350b77244ea8e23f61a089b1d2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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