HRID1146430

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-

HCID6344

Dichloromethane

CH2Cl2

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

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

HCID11179337

未命名化合物

PRODUCTS

生成物

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

HCID11236799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9395d0488c0d429da0c712c215f38531
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

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