HRID112097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID993

Pentofuranose

C5H10O5

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID83717

Copper iodide (CuI2)

CuI2

HCID239041

2-Propyn-1-amine

C3H5N

HCID11094805

propargyltrifluoroacetamide

C5H4F3NO

HCID178508725

未命名化合物

PRODUCTS

生成物

HCID993

Pentofuranose

C5H10O5

结构：Nc1ncnc2[nH]nc(C#CCNC(=O)C(F)(F)F)c12

HCID178508723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e513c87bcaa945dd839aa0d2f14a2414
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

[C:43](=[O:44])([OH:45])[O-:46].[CH2:1]([NH2:2])[C:3]#[CH:4].[CH3:5][CH2:6][N:7]([CH2:8][CH3:9])[CH2:10][CH3:11].[Cu:52]([I:53])[I:54].[F:12][C:13]([C:14](=[O:15])[NH:16][CH2:17][C:18]#[CH:19])([F:20])[F:21].[I:32][c:33]1[n:34][nH:35][c:36]2[n:37][cH:38][n:39][c:40]([NH2:42])[c:41]12.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH:22][CH:23]1[CH:24]([OH:25])[CH:26]([OH:27])[CH:28]([CH2:30][OH:31])[O:29]1.[Pd:55].[c:113]1([P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128][cH:129][cH:130][cH:131]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1.[c:94]1([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[F:12][C:13]([C:14](=[O:15])[NH:16][CH2:17][C:18]#[C:19][c:33]1[n:34][nH:35][c:36]2[n:37][cH:38][n:39][c:40]([NH2:42])[c:41]12)([F:20])[F:21].[OH:22][CH:23]1[CH:24]([OH:25])[CH:26]([OH:27])[CH:28]([CH2:30][OH:31])[O:29]1