HRID205351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6335

1-Propyne

C3H4

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID83717

Copper iodide (CuI2)

CuI2

反应SMILES：CC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1I

HCID57800179

未命名化合物

PRODUCTS

产物

反应SMILES：CC#Cc1c(NC(=O)C(C)(C)C)ccc(Cl)c1C(F)(F)F

HCID57800251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-27f0fc93f273490a99db5efdeeadda81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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