HRID1115420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID74573

5-Phenyl-1-pentyne

C11H12

HCID71401630

6-Bromo-2-(furan-2-yl)[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C9H6BrN5O

反应SMILES：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

产物

反应SMILES：Nc1nc(C#CCCCc2ccccc2)cn2nc(-c3ccco3)nc12

HCID11450746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-91372e1de0fc4083a703328015084e4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br:1][c:2]1[n:3][c:4]([NH2:16])[c:5]2[n:6]([cH:7]1)[n:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[n:10]2.[CH2:17]([CH2:18][CH2:19][C:20]#[CH:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cu:135][I:136].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([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)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1([C:21]#[C:20][CH2:19][CH2:18][CH2:17][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:3][c:4]([NH2:16])[c:5]2[n:6]([cH:7]1)[n:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[n:10]2