HRID2309955

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

HCID24905

1H-Indole, 5-bromo-

C8H6BrN

HCID30202

Ethanol, 2-(phenylsulfonyl)-

C8H10O3S

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID54328560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa82e9e705bc4eaf8ac2fc5a8e0f5570
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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