HRID192487

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：CCCCc1c(Cc2ccc(-c3ccccc3C#N)c(F)c2)c(=O)n(C2CCC(O)CC2)c2ccnn12

HCID67010149

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)c(F)c2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ccnn12

HCID86644069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-611b320f21924d4e81ca3ca66c509426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[C:69]([O-:70])(=[O:71])[CH3:72].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][c:25]([F:37])[c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([OH:20])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][cH:13]2.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[N+:38](=[N-:39])=[CH:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[OH2:52].[Rh+3:64]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][c:25]([F:37])[c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][cH:13]2