HRID199206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2737593

4-Fluoro-3-(trifluoromethyl)phenylacetic acid

C9H6F4O2

结构：CCS(=O)(=O)CCNC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

HCID67203385

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

HCID76839637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe5e30120d3c486e940a3eeac7f74848
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

[CH2:27]([CH3:28])[S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][NH:34][CH:35]([CH3:36])[c:37]1[n:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[c:45](=[O:59])[n:46]1-[c:47]1[cH:48][cH:49][c:50]([O:53][CH2:54][C:55]([F:56])([F:57])[F:58])[cH:51][cH:52]1.[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:67][CH2:68][Cl:69].[F:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:11])[N:34]([CH2:33][CH2:32][S:29]([CH2:27][CH3:28])(=[O:30])=[O:31])[CH:35]([CH3:36])[c:37]2[n:38][c:39]3[cH:40][cH:41][cH:42][cH:43][c:44]3[c:45](=[O:59])[n:46]2-[c:47]2[cH:48][cH:49][c:50]([O:53][CH2:54][C:55]([F:56])([F:57])[F:58])[cH:51][cH:52]2)[cH:6][cH:7]1