HRID2337177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8857

Ethyl acetate

C4H8O2

HCID18466058

未命名化合物

HCID22393735

Propyl piperazine-1-carboxylate

C8H16N2O2

PRODUCTS

生成物

结构：CCCOC(=O)N1CCN(C(=O)C(CC(F)(F)F)NC(=O)OCc2ccccc2)CC1

HCID66855000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-289b139a0f81456e86eaef16be1b9a7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][C:17]([F:18])([F:19])[F:20].[CH2:21]([CH2:22][CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH2:33]([N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1)[CH3:40].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:15])[N:30]1[CH2:29][CH2:28][N:27]([C:25]([O:24][CH2:21][CH2:22][CH3:23])=[O:26])[CH2:32][CH2:31]1)[CH2:16][C:17]([F:18])([F:19])[F:20]