HRID118671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID11127965

2-chloro-6-(trifluoromethyl)benzoic Acid

C8H4ClF3O2

结构：NCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59487494

未命名化合物

PRODUCTS

生成物

结构：Nc1c(C(=O)NCC(O)(CNC(=O)c2c(Cl)cccc2C(F)(F)F)C(F)(F)F)cnn1-c1ccc(F)cc1

HCID59487488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce6000fba8064810b189c3845b9876aa
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

[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1.[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[NH2:26][c:27]1[c:28]([C:39](=[O:40])[NH:41][CH2:42][C:43]([C:44]([F:45])([F:46])[F:47])([OH:48])[CH2:49][NH2:50])[cH:29][n:30][n:31]1-[c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:50][CH2:49][C:43]([CH2:42][NH:41][C:39]([c:28]2[c:27]([NH2:26])[n:31](-[c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[n:30][cH:29]2)=[O:40])([C:44]([F:45])([F:46])[F:47])[OH:48])[c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1