HRID2161018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cn(-c2cc(F)cc(F)c2F)cn1

HCID57516656

未命名化合物

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

结构：N#CC1CN(C(=O)C(NC(=O)c2c[nH]c3ncc(Br)nc23)C2CC2)C1

HCID178510362

未命名化合物

PRODUCTS

生成物

结构：N#CC1CN(C(=O)C(NC(=O)c2c[nH]c3ncc(-c4cn(-c5cc(F)cc(F)c5F)cn4)nc23)C2CC2)C1

HCID178510365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab44fc2f1ade4a788602a8f449e7432a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:28](#[N:29])[CH:30]1[CH2:31][N:32]([C:34]([CH:35]([CH:36]2[CH2:37][CH2:38]2)[NH:39][C:40](=[O:41])[c:42]2[cH:43][nH:44][c:45]3[n:46][cH:47][c:48]([Br:51])[n:49][c:50]23)=[O:52])[CH2:33]1.[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:20])([c:6]1[n:7][cH:8][n:9](-[c:11]2[c:12]([F:19])[c:13]([F:18])[cH:14][c:15]([F:17])[cH:16]2)[cH:10]1)[CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27].[Cu:135][I:136].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[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:6]1(-[c:48]2[cH:47][n:46][c:45]3[nH:44][cH:43][c:42]([C:40]([NH:39][CH:35]([C:34]([N:32]4[CH2:31][CH:30]([C:28]#[N:29])[CH2:33]4)=[O:52])[CH:36]4[CH2:37][CH2:38]4)=[O:41])[c:50]3[n:49]2)[n:7][cH:8][n:9](-[c:11]2[c:12]([F:19])[c:13]([F:18])[cH:14][c:15]([F:17])[cH:16]2)[cH:10]1