HRID1137173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID23436066

Dimethyl 2-amino-5-bromobenzene-1,4-dicarboxylate

C10H10BrNO4

PRODUCTS

产物

HCID10732886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-96cfb3166a304186ba368c61ff0aa62d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:20][O:21][C:22]([c:23]1[c:24]([NH2:34])[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[c:31]([Br:33])[cH:32]1)=[O:35].[CH3:36][c:37]1[c:38]([B:43]([OH:44])[OH:45])[cH:39][cH:40][cH:41][cH:42]1.[CH3:61][CH2:62][OH:63].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[Pd+2:56].[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>>[CH3:20][O:21][C:22]([c:23]1[c:24]([NH2:34])[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[c:31](-[c:38]2[c:37]([CH3:36])[cH:42][cH:41][cH:40][cH:39]2)[cH:32]1)=[O:35]