HRID120735

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：Cc1ccccc1C1CNCCC1N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID87626745

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(c3ccccc3C)C2)CC1

HCID87628032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38fa72cf534c4c8f98f146b1054c0168
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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