HRID178655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID66885699

未命名化合物

PRODUCTS

生成物

HCID66756524

3-(2-Methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoic acid

C12H16O6S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cc4bd1296d84033bac378bda675d7eb
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

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