HRID115345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID12192

Ethyl diazoacetate

C4H6N2O2

HCID167511

Rhodium(3+)

Rh+3

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)c(F)c2)c(=O)n(C2CCC(O)CC2)c2ccnn12

HCID67009168

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)c(F)c2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ccnn12

HCID86644068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76a93aae78984c31abdfe97fff5e0a16
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

[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[C:68]([O-:69])(=[O:70])[CH3:71].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[F:1][c:2]1[c:3](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:28])[n:11]([CH:21]3[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][cH:19][cH:20]3)[cH:7]1.[N+:37](=[N-:38])=[CH:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[OH2:51].[Rh+3:63]>>[F:1][c:2]1[c:3](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:28])[n:11]([CH:21]3[CH2:22][CH2:23][CH:24]([O:27][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:25][CH2:26]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][cH:19][cH:20]3)[cH:7]1