HRID143520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID351278

6-Fluoroindole

C8H6FN

结构：Cc1ccc(S(=O)(=O)OCC2CCN(C(=O)OCc3ccccc3)CC2)cc1

HCID21892078

Benzyl 4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}piperidine-1-carboxylate

C21H25NO5S

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)N1CCC(Cn2ccc3ccc(F)cc32)CC1

HCID69206513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a0b758c42044d88a3a9d305b6f0dd29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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