HRID135193

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)nc2)c(=O)n(C2CCC(O)CC2)c2ccnn12

HCID67009502

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)nc2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2ccnn12

HCID86644067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eb6ba883e804d26b88129553309cf62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][cH:36]3)[n: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.[CH3:45][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.[N+:37](=[N-:38])=[CH:39][C:40](=[O:41])[O:42][CH2:43][CH3:44].[OH2:51].[Rh+3:63]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][cH:36]3)[n:27][cH:28]2)[c:7](=[O:21])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][cH:13]2