HRID2160740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(F)(COS(C)(=O)=O)CC1

HCID22248402

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

C12H22FNO5S

结构：COCCOc1ccn2c(-c3ccc4cccc(O)c4n3)cnc2c1

HCID66781369

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccn2c(-c3ccc4cccc(OCC5(F)CCN(C(=O)OC(C)(C)C)CC5)c4n3)cnc2c1

HCID66782159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e7a05e8f5a84ac99b5bcaa862d92581
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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