HRID1222043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID13956

Phosphine, tris(4-methylphenyl)-

C21H21P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID59436609

未命名化合物

HCID67280185

未命名化合物

PRODUCTS

生成物

结构：CCSc1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1

HCID67281089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e369307e7f4c49a6b6a4f1c103e0678c
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

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