HRID101500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

HCID81531

Diisopropylethylamine

C8H19N

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1

HCID67338939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e21099f522d46c0a4e56048a9a0a88b
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

[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[OH:16])[CH2:12][CH2:13]1.[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH2:55][CH3:56])([CH3:57])[CH3:58].[Cl:59][CH2:60][Cl:61].[F:17][C:18]([c:19]1[c:20]([CH2:25][NH2:26])[cH:21][cH:22][cH:23][cH:24]1)([F:27])[F:28].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:16])[NH:26][CH2:25][c:20]2[c:19]([C:18]([F:17])([F:27])[F:28])[cH:24][cH:23][cH:22][cH:21]2)[CH2:12][CH2:13]1