HRID86151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID602334

2-Chloro-6-(trifluoromethyl)pyridine

C6H3ClF3N

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCNCC2)C1

HCID178452870

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1

HCID178452869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d02eb628b951455bb8f4bd446537ab2c
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

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1.[NH:12]1[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[N:20]2[CH2:21][CH:22]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24]2)[CH2:16][CH2:17]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[c:2]1([N:12]2[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[N:20]3[CH2:21][CH:22]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24]3)[CH2:16][CH2:17]2)[n:3][c:4]([C:8]([F:9])([F:10])[F:11])[cH:5][cH:6][cH:7]1