HRID124887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID142643

2-Hydroxy-3-methoxyphenylacetonitrile

C9H9NO2

HCID2765838

tert-Butyl 4-{[(methanesulfonyl)oxy]methyl}piperidine-1-carboxylate

C12H23NO5S

PRODUCTS

生成物

结构：COc1cccc(CC#N)c1OCC1CCN(C(=O)OC(C)(C)C)CC1

HCID66890287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40cf07142f334ebf833f0b00f28d28a0
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:32](=[O:33])([O-:34])[O-:35].[CH3:13][S:14]([O:15][CH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]1)(=[O:16])=[O:17].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cs+:36].[Cs+:37].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38].[OH:1][c:2]1[c:3]([CH2:10][C:11]#[N:12])[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9]>>[O:1]([c:2]1[c:3]([CH2:10][C:11]#[N:12])[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9])[CH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]1