HRID698242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID708091

未命名化合物

HCID12404419

[1-(3-Chloropropyl)piperidin-4-yl](4-fluorophenyl)methanone

C15H19ClFNO

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1CCN(CCCN2c3ccccc3-c3ccccc3S2(=O)=O)CC1

HCID19888463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bc9fcf65645442590c66437c491810d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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