HRID1223849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID10057729

4-Pentynoic acid, 3,3-dimethyl-, ethyl ester

C9H14O2

HCID57488513

2-Bromo-5-fluoro-4-nitroaniline

C6H4BrFN2O2

PRODUCTS

生成物

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

HCID59129516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53c74ef342524f7a9b5d74572f320364
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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]([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])([C:21]#[CH:22])[CH3:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cu:79][I:80].[OH2:37].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:2]1([C:22]#[C:21][C:14]([CH3:13])([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH3:23])[c:3]([NH2:4])[cH:5][c:6]([F:12])[c:7]([N+:9](=[O:10])[O-:11])[cH:8]1