HRID1550545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：CCOC(=O)CCc1ccc(Oc2cc(C)cc(Oc3ccc(C(F)(F)F)cc3Br)c2)cc1C

HCID57894173

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(Oc2cc(C)cc(Oc3ccc(C(F)(F)F)cc3-c3cccnc3)c2)cc1C

HCID57894124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-514db53b2d1a4fecb1f6e274ee8d5127
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

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