HRID99955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID17208

Benzyltriethylammonium

C13H22N+

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：COc1ccc(CN2C(=O)C(C)=C(Br)C2=O)c(OC)c1

HCID12013927

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)C(C)=C(c3ccc(C(F)(F)F)cc3)C2=O)c(OC)c1

HCID59496104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-093337227c8948feb7c4f9e6d6a0d912
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:37]([N+:38]([CH2:39][CH3:40])([CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH2:48][CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[c:4]([CH2:11][N:12]2[C:13](=[O:20])[C:14]([Br:19])=[C:15]([CH3:18])[C:16]2=[O:17])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl-:36].[Cs+:35].[F-:34].[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1)([F:32])[F:33]>>[CH3:1][O:2][c:3]1[c:4]([CH2:11][N:12]2[C:13](=[O:20])[C:14]([c:26]3[cH:25][cH:24][c:23]([C:22]([F:21])([F:32])[F:33])[cH:28][cH:27]3)=[C:15]([CH3:18])[C:16]2=[O:17])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1