HRID675004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID123057

1-(Bromomethyl)-2-(trifluoromethyl)benzene

C8H6BrF3

结构：COC(=O)c1ccc(CC(C=Cc2ccccc2O)CCc2ccc(C#N)cc2)cc1

HCID67353032

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CC(C=Cc2ccccc2OCc2ccccc2C(F)(F)F)CCc2ccc(C#N)cc2)cc1

HCID69066951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bede885e59c4ba9b2bdfddf1720e3fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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