HRID92858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID494138

未命名化合物

HCID5460504

Phosphonium

H4P+

PRODUCTS

生成物

HCID17453

Methyl (triphenylphosphoranylidene)acetate

C21H19O2P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b91fad7975244fea6239dd71cc6c641
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:26].[Br:20][CH2:21][C:22]([O:23][CH3:24])=[O:25].[CH3:27][O:28][C:29](=[O:30])[CH2:31][P+:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:53].[OH-:52].[OH2:60].[PH4+:51].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[CH3:27][O:28][C:29](=[O:30])[CH:31]=[P:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1