HRID2123021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID520218

3-Fluorophenylacetylene

C8H5F

HCID2049307

3-Amino-2-bromo-4,6-dimethylpyridine

C7H9BrN2

PRODUCTS

生成物

HCID10331863

Raseglurant

C15H13FN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84ab54023fd54f25af4dcdbcf30b67d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([CH3:10])[cH:5][c:6]([CH3:9])[c:7]1[NH2:8].[C:11](#[CH:12])[c:13]1[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[Pd:27]([Cl:28])[Cl:29].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[c:2]1([C:12]#[C:11][c:13]2[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]2)[n:3][c:4]([CH3:10])[cH:5][c:6]([CH3:9])[c:7]1[NH2:8]