HRID288775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID23938

Palladium

HCID83717

Copper iodide (CuI2)

CuI2

HCID136603

Benzene, 1-bromo-4-ethynyl-

C8H5Br

HCID260420

Dichlorotriphenylphosphorane

C18H15Cl2P

HCID73446451

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C=Nc1ncc(C#Cc2ccc(Br)cc2)c(Cl)n1)C(C)C

HCID73446456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c43f60bcd5f642eea123d0f842a49109
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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