HRID110808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID18453522

未命名化合物

结构：FC(F)(F)c1ccc(C=Cc2nc(COc3ncc(Br)cn3)co2)cc1

HCID69489016

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

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(C=Cc2nc(COc3ncc(C#CCCn4ccnn4)cn3)co2)cc1

HCID69488384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1e846668f6540f68476957ba32c3760
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

[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][c:10]2[n:11][c:12]([CH:15]=[CH:16][c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[o:13][cH:14]2)[n:6][cH:7]1.[CH2:27]([CH2:28][C:29]#[CH:30])[n:31]1[n:32][n:33][cH:34][cH:35]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:36]([NH:37][CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cu:59]([I:60])[I:61].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1([C:30]#[C:29][CH2:28][CH2:27][n:31]2[n:32][n:33][cH:34][cH:35]2)[cH:3][n:4][c:5]([O:8][CH2:9][c:10]2[n:11][c:12]([CH:15]=[CH:16][c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[o:13][cH:14]2)[n:6][cH:7]1