HRID187238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID541

4-Nitrobenzaldehyde

C7H5NO3

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Cc1ccc(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID5082416

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC=Cc2ccc([N+](=O)[O-])cc2)cc1

HCID53764164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34d3cac603394601a56012183f22753d
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

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