HRID105208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1048

Pyrazole

C3H4N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12228

Methyl isocyanate

C2H3NO

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cc[nH]n2)cc1Cl

HCID178504729

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67190626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2f907915dcf492b9fc96b9247706819
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

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