HRID807035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID28419238

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(I)ccn2)CC1

HCID86633425

tert-Butyl 4-[(4-iodopyridin-2-yl)carbonyl]-1,4-diazepane-1-carboxylate

C16H22IN3O3

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：COc1ccc(CNCC#Cc2ccnc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)c1

HCID86633427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e5d97b9e8b849959304995b5aec6be0
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

[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][C:8]#[CH:9])[cH:10][cH:11][c:12]([O:14][CH3:15])[cH:13]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cu:57][I:58].[I:16][c:17]1[cH:18][c:19]([C:23](=[O:24])[N:25]2[CH2:26][CH2:27][N:28]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:29][CH2:30][CH2:31]2)[n:20][cH:21][cH:22]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][C:8]#[C:9][c:17]2[cH:18][c:19]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][N:28]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:29][CH2:30][CH2:31]3)[n:20][cH:21][cH:22]2)[cH:10][cH:11][c:12]([O:14][CH3:15])[cH:13]1