HRID1563814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

结构：CC(C)C(C(=O)O)c1cc2cc(C(F)(F)F)ccc2s1

HCID53945785

未命名化合物

HCID54343081

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C(=O)OCc1[nH]ccc1Cc1ccccc1)c1cc2cc(C(F)(F)F)ccc2s1

HCID54276535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73d84a1d13cf4804a7d3e01447bfa409
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[c:38]([CH2:42][OH:43])[nH:39][cH:40][cH:41]1.[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9]([CH:11]([C:12](=[O:13])[OH:14])[CH:15]([CH3:16])[CH3:17])[s:10]2)[cH:18]1)([F:19])[F:20].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[OH2:59].[S:21]([Cl:22])([Cl:23])=[O:24].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][c:9]([CH:11]([C:12](=[O:13])[O:14][CH2:42][c:38]3[c:37]([CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:41][cH:40][nH:39]3)[CH:15]([CH3:16])[CH3:17])[s:10]2)[cH:18]1)([F:19])[F:20]