HRID684063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID12404419

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

C15H19ClFNO

HCID14882692

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：O=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)CN(Cc3ccccn3)CC2=O)CC1

HCID14882693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79fca492942c4c818b9369ce43a45c87
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

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