HRID680281

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

HCID83717

Copper iodide (CuI2)

CuI2

HCID3760025

4-Ethynylaniline

C8H7N

HCID59852408

未命名化合物

PRODUCTS

生成物

结构：CCn1c(-c2nc(C#Cc3ccc(N)cc3)cnc2N)nc2cnccc21

HCID9841572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8ae79fb4bed4847842115cc188c7ee0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4](-[c:9]2[n:10]([CH2:18][CH3:19])[c:11]3[c:12]([cH:13][n:14][cH:15][cH:16]3)[n:17]2)[c:5]([NH2:8])[n:6][cH:7]1.[C:20](#[CH:21])[c:22]1[cH:23][cH:24][c:25]([NH2:26])[cH:27][cH:28]1.[CH2:73]([N:74]([CH2:75][CH3:76])[CH2:77][CH3:78])[CH3:79].[Cu:70]([I:71])[I:72].[Pd:29]([Cl:30])[Cl:31].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1([C:21]#[C:20][c:22]2[cH:23][cH:24][c:25]([NH2:26])[cH:27][cH:28]2)[n:3][c:4](-[c:9]2[n:10]([CH2:18][CH3:19])[c:11]3[c:12]([cH:13][n:14][cH:15][cH:16]3)[n:17]2)[c:5]([NH2:8])[n:6][cH:7]1