HRID298617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

HCID60205443

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCC4)c23)C1

HCID60205444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fc79c3af8ed4def955909d9e90264c7
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

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