HRID932472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4296

1-[3-(Trifluoromethyl)phenyl]-piperazine

C11H13F3N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O

HCID291633

2-{[(Benzyloxy)carbonyl]amino}-5-tert-butoxy-5-oxopentanoic acid

C17H23NO6

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

HCID66920129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97da1585608a4bbf9e2124f05e8e633b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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