HRID201495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2734805

5-Bromo-o-toluidine

C7H8BrN

HCID15546849

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C=CCC(C)N(C)C(=O)OC(C)(C)C)cc1N

HCID70125787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d12cf2f9be4459b984c136029171e8c
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

[Br:1][c:2]1[cH:3][c:4]([NH2:9])[c:5]([CH3:8])[cH:6][cH:7]1.[CH3:10][N:11]([CH:12]([CH3:13])[CH2:14][CH:15]=[CH2:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:63][C:64]#[N:65].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:53].[Pd+2:54].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][c:30]1[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[c:2]1([CH:16]=[CH:15][CH2:14][CH:12]([N:11]([CH3:10])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH3:13])[cH:3][c:4]([NH2:9])[c:5]([CH3:8])[cH:6][cH:7]1