HRID1142617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2737456

3-(4-Fluorophenoxy)benzyl Bromide

C13H10BrFO

HCID13216693

未命名化合物

PRODUCTS

生成物

结构：CC(C)(COCc1cccc(Oc2ccc(F)cc2)c1)c1ccc(Cl)c(Cl)c1

HCID3067124

Benzene, 1-((2-(3,4-dichlorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-

C23H21Cl2FO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8c13b22c79c4fdfa2cc993554f76798
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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