HRID135292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11894

Benzoic acid, 2-bromo-, methyl ester

C8H7BrO2

HCID74458

Allyl phenyl ether

C9H10O

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID67414986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7a5c5ef9d0d448b86bdf7258554718d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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