HRID1566342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)C(F)C1

HCID45489898

1,1-Dimethylethyl 3-fluoro-4-[(methylsulfonyl)oxy]-1-piperidinecarboxylate

C11H20FNO5S

结构：Oc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12

HCID66781509

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3ccc(-c4cnc5cc(-c6cccnc6)ccn45)nc23)C(F)C1

HCID66781534

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d13d960013ed4115be2535ba1986999d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[O-:49].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cs+:50].[Cs+:51].[F:27][CH:28]1[CH2:29][N:30]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:31][CH2:32][CH:33]1[O:34][S:35]([CH3:36])(=[O:37])=[O:38].[OH2:52].[n:1]1[cH:2][c:3](-[c:7]2[cH:8][c:9]3[n:10]([cH:11][cH:12]2)[c:13](-[c:16]2[n:17][c:18]4[c:19]([OH:26])[cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]2)[cH:14][n:15]3)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[cH:8][c:9]3[n:10]([cH:11][cH:12]2)[c:13](-[c:16]2[n:17][c:18]4[c:19]([O:26][CH:33]5[CH:28]([F:27])[CH2:29][N:30]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:31][CH2:32]5)[cH:20][cH:21][cH:22][c:23]4[cH:24][cH:25]2)[cH:14][n:15]3)[cH:4][cH:5][cH:6]1