HRID298953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

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

HCID57488513

2-Bromo-5-fluoro-4-nitroaniline

C6H4BrFN2O2

PRODUCTS

生成物

结构：CC(C)(C)C#Cc1cc([N+](=O)[O-])c(F)cc1N

HCID59129195

2-(3,3-Dimethyl-1-butyn-1-yl)-5-fluoro-4-nitrobenzenamine

C12H13FN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-296e39ba89bd42a487b1f659d6d1fe6a
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[c:3]([NH2:4])[cH:5][c:6]([F:12])[c:7]([N+:9](=[O:10])[O-:11])[cH:8]1.[CH3:13][C:14]([C:15]#[CH:16])([CH3:17])[CH3:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cu:34][I:35].[OH2:33].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:16]#[C:15][C:14]([CH3:13])([CH3:17])[CH3:18])[c:3]([NH2:4])[cH:5][c:6]([F:12])[c:7]([N+:9](=[O:10])[O-:11])[cH:8]1