HRID184249

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

HCID83717

Copper iodide (CuI2)

CuI2

HCID239041

2-Propyn-1-amine

C3H5N

HCID11094805

propargyltrifluoroacetamide

C5H4F3NO

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

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-de95bd70c5f84559bda6131a373e97d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]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