HRID165600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

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

CuI

结构：C#Cc1ccc(C(=O)NC(CCC(=O)OC)C(=O)OC)cc1

HCID15024199

未命名化合物

HCID178515134

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1ccc(C#Cn2cnc3nccc-3c2O)cc1)C(=O)OC

HCID178500517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baf642450aee413a9bf35c1904922415
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:12](#[CH:13])[c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cu:47][I:48].[I:1][n:2]1[cH:3][n:4][c:5]2[n:11][cH:10][cH:9][c:6]-2[c:7]1[OH:8].[OH2:41].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[n:2]1([C:13]#[C:12][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[cH:3][n:4][c:5]2[n:11][cH:10][cH:9][c:6]-2[c:7]1[OH:8]