HRID136221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6569

Methyl ethyl ketone

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10608876

1-phenylmethyl-4ethylaminopiperidine

C14H22N2

结构：COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)Cl

HCID12866405

5-Chloro-2-methoxy-4-(2,2,2-trifluoroacetamido)benzoyl chloride

C10H6Cl2F3NO3

PRODUCTS

生成物

结构：CCN(C(=O)c1cc(Cl)c(NC(=O)C(F)(F)F)cc1OC)C1CCN(Cc2ccccc2)CC1

HCID12866406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6557e3aafdd041f38d83b9e05c958a1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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