HRID124520

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

HCID79664

Phenyl vinyl sulfone

C8H8O2S

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID15521562

5-Bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

C14H17BrN2

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：CN1CCCC1Cc1c[nH]c2ccc(C=CS(=O)(=O)c3ccccc3)cc12

HCID53400889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ab9c5fed7c34a9b957f9474ba8b01ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][CH:12]3[N:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:67][C:68]#[N:69].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[Pd+2:58].[c:18]1([S:24](=[O:25])(=[O:26])[CH:27]=[CH2:28])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[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]>>[BrH:1].[c:2]1([CH:28]=[CH:27][S:24]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)(=[O:25])=[O:26])[cH:3][c:4]2[c:5]([CH2:11][CH:12]3[N:13]([CH3:17])[CH2:14][CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1