HRID141584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13566

3-Butyn-1-ol

C4H6O

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID73743

4-Bromoisoquinoline

C9H6BrN

PRODUCTS

生成物

HCID10631793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12130904ddd64896b9f6bcfaf2b14b21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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