HRID2160451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID98210

3-Pyrrolidinol

C4H9NO

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)nc2N2CCC(O)C2)cc1F

HCID68782291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94359f9c1455492ea3fd1b5f8b9d1374
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[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.[NH:35]1[CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34]>>[c:2]1([N:35]2[CH2:36][CH:37]([OH:40])[CH2:38][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