HRID2344950

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

HCID12874224

(4-Fluoro-3-phenoxyphenyl)methanol

C13H11FO2

HCID20304961

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(Oc2ccc(Cl)cc2)C1C(=O)OCc1ccc(F)c(Oc2ccccc2)c1

HCID23338848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0170612ae12d470f96b4e1bba8f11069
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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