HRID166778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID87173

Benzonitrile, 2-amino-3-bromo-5-nitro-

C7H4BrN3O2

PRODUCTS

生成物

结构：CC(C)(C)C#Cc1cc([N+](=O)[O-])cc(C#N)c1N

HCID59129252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f04402e04ee84fb3b9ea1b75d25ca1c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:14][C:15]([C:16]#[CH:17])([CH3:18])[CH3:19].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[Cu:27][I:28].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:11](=[O:12])[O-:13])[cH:8][c:9]1[Br:10].[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>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([N+:11](=[O:12])[O-:13])[cH:8][c:9]1[C:17]#[C:16][C:15]([CH3:14])([CH3:18])[CH3:19]