HRID813655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID25840

2-Bromo-4-nitroaniline

C6H5BrN2O2

HCID15186997

Methyl 2,2-dimethylbut-3-ynoate

C7H10O2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)C#Cc1cc([N+](=O)[O-])ccc1N

HCID59129298

Methyl 4-(2-amino-5-nitrophenyl)-2,2-dimethylbut-3-ynoate

C13H14N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ae09198b12c42b4b995a73e90bf66af
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1.[CH3:12][C:13]([C:14](=[O:15])[O:16][CH3:17])([C:18]#[CH:19])[CH3:20].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cu:36][I:37].[OH2:35].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1([C:19]#[C:18][C:13]([CH3:12])([C:14](=[O:15])[O:16][CH3:17])[CH3:20])[c:3]([NH2:4])[cH:5][cH:6][c:7]([N+:9](=[O:10])[O-:11])[cH:8]1