HRID812297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID23938

Palladium

结构：CCN(CC1CCCC1)c1nc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC)c(C)nn2C

HCID11671498

未命名化合物

结构：CCCC#Cc1nc2ccccc2cc1CN(CC(=O)OC(C)(C)C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID57486794

未命名化合物

PRODUCTS

生成物

HCID57473632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86caef77a60247e29e9b52ea9083cd9b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47]([CH2:48][N:49]([CH2:50][c:51]1[c:52]([C:61]#[C:62][CH2:63][CH2:64][CH3:65])[n:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[cH:60]1)[CH2:66][c:67]1[cH:68][c:69]([C:77]([F:78])([F:79])[F:80])[cH:70][c:71]([C:73]([F:74])([F:75])[F:76])[cH:72]1)=[O:81].[CH3:1][O:2][C:3](=[O:4])[N:5]([CH2:6][c:7]1[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]([C:16]([F:17])([F:18])[F:19])[cH:20]1)[CH2:21][c:22]1[cH:23][c:24]2[c:25]([CH3:26])[n:27][n:28]([CH3:29])[c:30]2[n:31][c:32]1[N:33]([CH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1)[CH2:40][CH3:41].[CH3:82][CH2:83][OH:84].[Pd:85]>>[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47]([CH2:48][N:49]([CH2:50][c:51]1[c:52]([CH2:61][CH2:62][CH2:63][CH2:64][CH3:65])[n:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[cH:60]1)[CH2:66][c:67]1[cH:68][c:69]([C:77]([F:78])([F:79])[F:80])[cH:70][c:71]([C:73]([F:74])([F:75])[F:76])[cH:72]1)=[O:81]