HRID830793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID679

Dimethyl sulfoxide

C2H6OS

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

HCID12507

Benzene, 1-ethenyl-4-methoxy-

C9H10O

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID21293334

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：COc1ccc(C=Cc2ccc3c(=O)n(CCN(C(C)C)C(C)C)ncc3c2)cc1

HCID54034857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13829feb84c04c85be262c4a487f4e8d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][N:15]([CH:16]([CH3:17])[CH3:18])[CH:19]([CH3:20])[CH3:21])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:62]([O-:63])(=[O:64])[CH3:65].[C:67]([O-:68])(=[O:69])[CH3:70].[CH3:22][S:23]([CH3:24])=[O:25].[CH3:26][O:27][c:28]1[cH:29][cH:30][c:31]([CH:32]=[CH2:33])[cH:34][cH:35]1.[CH3:71][C:72]#[N:73].[CH:58]([OH:59])([CH3:60])[CH3:61].[Pd+2:66].[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]>>[BrH:1].[c:2]1([CH:33]=[CH:32][c:31]2[cH:30][cH:29][c:28]([O:27][CH3:26])[cH:35][cH:34]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH2:13][CH2:14][N:15]([CH:16]([CH3:17])[CH3:18])[CH:19]([CH3:20])[CH3:21])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1