HRID1541083

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

结构：CC(C)(O)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID11751892

未命名化合物

PRODUCTS

生成物

结构：CC(C)(F)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

HCID57559937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dcd345f276c45c6826ee1b0f86d61e3
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

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