HRID316710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID23282848

1-(tert-Butoxycarbonyl)-4-methylpiperidine-4-carboxylic acid

C12H21NO4

HCID23506015

3-(4-Fluorophenoxy)aniline

C12H10FNO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1

HCID68989388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cedf69e24a914d64ba0966cb9c3e5896
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH3:17])[CH2:12][CH2:13]1.[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH:33]1([N:34]=[C:35]=[N:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[F:18][c:19]1[cH:20][cH:21][c:22]([O:23][c:24]2[cH:25][c:26]([NH2:27])[cH:28][cH:29][cH:30]2)[cH:31][cH:32]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([C:14](=[O:16])[NH:27][c:26]2[cH:25][c:24]([O:23][c:22]3[cH:21][cH:20][c:19]([F:18])[cH:32][cH:31]3)[cH:30][cH:29][cH:28]2)([CH3:17])[CH2:12][CH2:13]1