HRID2350129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724577

Pyridinium, 1-fluoro-

C5H5FN+

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

结构：Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1

HCID11523903

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1

HCID11618344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f937b87d24842adbe5a5e21bce22dc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[cH:10][c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12.[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[Cl-:43].[Cl:50][CH:51]([Cl:52])[CH3:53].[F:36][n+:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH4+:44].[S:28]([O-:29])([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:27])[c:10]([F:32])[c:11]2[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[OH:26])[cH:14][cH:15][c:16]12