HRID1547435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID117255

1-Acetylpiperidine-4-carboxylic acid

C8H13NO3

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1c1ccc(F)cc1

HCID87629375

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)CC1

HCID87627705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b145d23e552c428887f9caa1c1da0ea2
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:33]([CH3:34])(=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([C:42](=[O:43])[OH:44])[CH2:40][CH2:41]1.[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][NH:11][CH2:12][CH2:13][CH:14]2[N:15]([C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[CH3:32])[cH:7][cH:8]1>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][N:11]([C:42]([CH:39]3[CH2:38][CH2:37][N:36]([C:33]([CH3:34])=[O:35])[CH2:41][CH2:40]3)=[O:43])[CH2:12][CH2:13][CH:14]2[N:15]([C:16]([c:17]2[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]2)=[O:31])[CH3:32])[cH:7][cH:8]1