HRID1221243

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

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID11776

Triphenylphosphine

C18H15P

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

HCID73732

未命名化合物

HCID5460504

Phosphonium

H4P+

PRODUCTS

生成物

HCID70670

Acetic acid, (triphenylphosphoranylidene)-, ethyl ester

C22H21O2P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7bcac2b04f44e228e046e854b7ce409
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:27].[Br:20][CH2:21][C:22]([O:23][CH2:24][CH3:25])=[O:26].[CH2:28]([CH3:29])[O:30][C:31](=[O:32])[CH2:33][P+:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:55].[OH-:54].[OH2:62].[PH4+:53].[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:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[CH2:28]([CH3:29])[O:30][C:31](=[O:32])[CH:33]=[P:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1