HRID669996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7032

4,4'-Dimethoxybenzophenone

C15H14O3

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID166653

Hydride

H-

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

HCID4429808

(3-Carboxypropyl)triphenylphosphonium

C22H22O2P+

PRODUCTS

生成物

结构：COc1ccc(C(=CCCC(=O)O)c2ccc(OC)cc2)cc1

HCID15097560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-894f4319b55c49809aa8092aeeb8f379
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:8](=[O:9])([OH:10])[CH2:11][CH2:12][CH2:13][P+:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][O:34][c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[cH:49][cH:50]1.[CH3:3][S:4]([CH3:5])=[O:6].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl-:7].[Cl:57][CH2:58][Cl:59].[H-:1].[Na+:2].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[C:8](=[O:9])([OH:10])[CH2:11][CH2:12][CH:13]=[C:39]([c:38]1[cH:37][cH:36][c:35]([O:34][CH3:33])[cH:50][cH:49]1)[c:41]1[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]1