HRID1140201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID81643

2-Propyn-1-amine, N,N-dimethyl-

C5H9N

HCID83717

Copper iodide (CuI2)

CuI2

结构：Cc1cc(Br)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID11560384

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#CCN(C)C)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID11697021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3a521bb59ab45398a2693821c9a4339
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([CH3:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2.[CH3:25][N:26]([CH2:27][C:28]#[CH:29])[CH3:30].[Cu:72]([I:73])[I:74].[Pd:31]([Cl:32])[Cl:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([C:29]#[C:28][CH2:27][N:26]([CH3:25])[CH3:30])[cH:3][c:4]2[c:8]([c:9]([CH3:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2