HRID196891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID14917

Hydrogen fluoride

反应SMILES：CC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccccc2)c2ccccc2)C1

HCID11475292

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(F)C(c1cc(F)cc(F)c1)C1CN(C(c2ccccc2)c2ccccc2)C1

HCID67065989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3086efe571b34c62ad2464ed5ae4281a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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