HRID1210703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5811

3,5-Dichlorobenzoic acid

C7H4Cl2O2

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID40152119

tert-Butyl 4-(aminomethyl)-4-fluoropiperidine-1-carboxylate

C11H21FN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

HCID59455785

1,1-Dimethylethyl 4-[[(3,5-dichlorobenzoyl)amino]methyl]-4-fluoro-1-piperidinecarboxylate

C18H23Cl2FN2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a431cce13adc49d9a97c1404230dc073
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Cl:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([Cl:21])[cH:20]1.[Cl:47][CH2:48][Cl:49].[NH2:31][CH2:32][C:33]1([F:46])[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1.[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[Cl:11][c:12]1[cH:13][c:14]([C:15](=[O:17])[NH:31][CH2:32][C:33]2([F:46])[CH2:34][CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]2)[cH:18][c:19]([Cl:21])[cH:20]1