HRID104448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID3687

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID12997

1-Decyne

C10H18

HCID23938

Palladium

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

结构：CCCCCCCCC#Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O

HCID21882232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-371a76ec961f4d03979edee1f460448c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][C:38]([CH3:39])=[O:40].[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[CH:27]#[C:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[Cu:118][I:119].[I:1][c:2]1[c:3](=[O:17])[nH:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1.[Pd:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([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][cH:115][cH:116][cH:117]1>>[c:2]1([C:27]#[C:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[c:3](=[O:17])[nH:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1