HRID1143464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID12192

Ethyl diazoacetate

C4H6N2O2

HCID185497

Rhodium, ion(Rh2 )

Rh+2

反应SMILES：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O)CC2)c2nc(C(F)(F)F)nn12

HCID67010111

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC(=O)OCC)CC2)c2nc(C(F)(F)F)nn12

HCID86644055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-25bd898187974a10a1c728191a8e9751
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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