HRID305853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID93915

1-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one

C13H16FN3O

结构：CS(=O)(=O)OC1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)CC1

HCID20366885

未命名化合物

PRODUCTS

生成物

结构：O=C1NCN(c2ccc(F)cc2)C12CCN(C1CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC1)CC2

HCID13364151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f31bf3e6b2584b92b278bcf4970edb5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][S:2]([O:3][CH:6]1[CH2:7][CH2:8][C:9]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)([c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[CH2:10][CH2:11]1)(=[O:4])=[O:5].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:52]([O:53][CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[F:26][c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][NH:35][C:36](=[O:43])[C:37]23[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]3)[cH:31][cH:32]1.[I-:51].[K+:48].[K+:49].[K+:50].[OH2:59]>>[CH:6]1([N:40]2[CH2:39][CH2:38][C:37]3([N:33]([c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)[CH2:34][NH:35][C:36]3=[O:43])[CH2:42][CH2:41]2)[CH2:7][CH2:8][C:9]([c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)([c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[CH2:10][CH2:11]1