HRID292746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID31268

Pyrrolidine

C4H9N

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2Cl)cc1F

HCID72335664

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2N2CCCC2)cc1F

HCID68779706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aae3e7e52fb54b60893064f73c147843
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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