HRID117071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID185497

Rhodium, ion(Rh2 )

Rh+2

HCID53440922

2-Diazonio-1-ethoxyprop-1-en-1-olate

C5H8N2O2

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(O)CC2)c2ncnn12

HCID67009860

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CCC(OC(C)C(=O)OCC)CC2)c2ncnn12

HCID67009358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-090c620f70784620b893305015dc45ea
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:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([OH:27])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[N+:37](=[N-:38])=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45].[Rh+2:57]>>[F:1][c:2]1[cH:3][c:4](-[c:29]2[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:28])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2