HRID2150344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2776019

3H,3H-Perfluoropropyl triflate

C4H2F8O3S

结构：O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID69036826

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc([N+](=O)[O-])ccc1OCC(F)(F)C(F)(F)F)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID86600703

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9855020d76a74e09972d7bc9ff857ee6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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