HRID669540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7972

4-Methylmorpholine

C5H11NO

HCID14098

p-Vinylbenzoic acid

C9H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID135838155

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc3ccc(C=Cc4ccc(C(=O)O)cc4)cc3c2c(=O)[nH]1

HCID135990565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-229beeeda85847b5b24304287bd367bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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