HRID2133083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

反应SMILES：CC(C)CC(=O)Nc1c[nH]c2ncc(Br)c(F)c12

HCID60205447

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c12

HCID60205448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8fef91365425402ca629e0775f88e4ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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]([CH2:13][CH:14]([CH3:15])[CH3:16])=[O:17].[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[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]([CH2:13][CH:14]([CH3:15])[CH3:16])=[O:17]