HRID1144712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57955623

未命名化合物

PRODUCTS

生成物

结构：COc1c([N+](=O)[O-])ccc(C(=O)N2CCOCC2)c1F

HCID70099135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf5bca19ce34d85bd9359aa224286fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:16]1[CH2:17][O:18][CH2:19][CH2:20][NH:21]1.[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([N+:13](=[O:14])[O-:15])[c:10]1[O:11][CH3:12].[OH2:58].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[N:21]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:7][cH:8][c:9]([N+:13](=[O:14])[O-:15])[c:10]1[O:11][CH3:12]