HRID1226947

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

HCID13408836

4-Oxo-4-[3-(trifluoromethyl)phenyl]butanoic acid

C11H9F3O3

结构：CC(C)c1ncc(C2(O)CCC(N3CCC(N)C3)CC2)s1

HCID57896442

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ncc(C2(O)CCC(N3CCC(NC(=O)CCC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1

HCID57896463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00317af14cce4b8e9c02dcb6fdb2f992
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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