HRID189138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID67985

1,3-Difluoro-2-propanol

C3H6F2O

HCID67264351

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1[N+](=O)[O-])CCN(C(CF)CF)CC2

HCID67263309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64b207e8e15f465a81e5dd28dce58218
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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