HRID87292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：O=[N+]([O-])c1cccc(S(=O)(=O)OCC2CO2)c1

HCID286836

未命名化合物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1

HCID11995228

Methyl 3-cyclohexyl-2-(2-hydroxyphenyl)-1H-indole-6-carboxylate

C22H23NO3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3OCC3CO3)[nH]c2c1

HCID135017883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-192d5efdd10d4d028c837aca7d97575b
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

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