HRID94088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID392871

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

C11H19NO4

结构：Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

HCID2740668

4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]aniline

C11H7F6N3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)CC1

HCID22288408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95926561848e4b6b9747f9e48e9f7a1d
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

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