HRID141408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID136751

3-(Trifluoromethyl)thiophenol

C7H5F3S

HCID4322147

Ethyl 4-chloro-6-(trifluoromethyl)quinoline-3-carboxylate

C13H9ClF3NO2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Sc1cccc(C(F)(F)F)c1

HCID54568173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d6a840f2eb4317ae8d055b39860a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]12.[F:21][C:22]([c:23]1[cH:24][c:25]([SH:29])[cH:26][cH:27][cH:28]1)([F:30])[F:31].[OH2:41]>>[c:2]1([S:29][c:25]2[cH:24][c:23]([C:22]([F:21])([F:30])[F:31])[cH:28][cH:27][cH:26]2)[c:3]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:4][n:5][c:6]2[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][c:11]12