HRID103668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID80366

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

结构：CC(C)(C)C(=O)Oc1c(-c2c(F)ccc(F)c2Cl)c(=O)[nH]c2nccnc12

HCID57998843

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Oc1c(-c2c(F)ccc(F)c2Cl)c(=O)n(CC(F)(F)F)c2nccnc12

HCID59392370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3fc38bdec3b4443ab91dcfa87486fd2
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

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