HRID286865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID2724137

Phosphonium, [2-(dimethylamino)ethyl]triphenyl-

C22H25NP+

结构：O=Cc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

HCID58790381

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCC=Cc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1

HCID66649106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d2d0c90792745069fb01a6c7ee9735f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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