HRID313726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID6579

Acrylamide

C3H5NO

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC

HCID11213555

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2ncc3c(C)nc(-c4cccc(C=CC(N)=O)c4)n3n2)cc(OC)c1OC

HCID68869190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22092aa2d4004012a745adce00dac618
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][C:66]#[N:67].[NH2:31][C:32](=[O:33])[CH:34]=[CH2:35].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[Pd+2:68].[c:36]1([CH3:37])[cH:38][cH:39][cH:40][cH:41][c:42]1[P:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][c:49]1[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57]>>[c:2]1([CH:35]=[CH:34][C:32]([NH2:31])=[O:33])[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1