HRID302305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID73934

2,6-Difluoropyridine

C5H3F2N

HCID81531

Diisopropylethylamine

C8H19N

HCID178446758

tert-butyl N-(1-amino-2-hydroxyheptan-3-yl)carbamate

C12H26N2O3

2 次

PRODUCTS

生成物

结构：CCCCC(NC(=O)OC(C)(C)C)C(O)CNc1cccc(F)n1

HCID178446759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-431e8373fa134eaaa034f173784e893d
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

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