HRID662254

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

HCID20538771

1-(Chloromethyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene

C10H6ClF7

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2O)Cc2ccc(C#N)cc2)cc1

HCID67351872

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCC(C=Cc2ccccc2OCc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)Cc2ccc(C#N)cc2)cc1

HCID72536574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f00ed637f4d14d3d9cd7405cb6489485
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]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([OH:29])[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][C:57]#[N:58].[Cl:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([C:40]([C:41]([F:42])([F:43])[F:44])([C:45]([F:46])([F:47])[F:48])[F:49])[cH:38][cH:39]1.[K+:54].[K+:55]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][CH:8]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]2)[CH:21]=[CH:22][c:23]2[c:24]([O:29][CH2:33][c:34]3[cH:35][cH:36][c:37]([C:40]([C:41]([F:42])([F:43])[F:44])([C:45]([F:46])([F:47])[F:48])[F:49])[cH:38][cH:39]3)[cH:25][cH:26][cH:27][cH:28]2)[cH:30][cH:31]1