HRID1234795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

结构：Cc1cncc(C(=O)Nc2c[nH]c3ncc(Br)c(F)c23)c1

HCID60205339

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCCC(NC(=O)OC(C)(C)C)C4)c23)c1

HCID60205340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92a9816e10d641388ed5f18ab5ac2d57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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