HRID200856

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：Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(F)c12

HCID60205383

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(NC(=O)OC(C)(C)C)C3)c12

HCID67045102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82b97064a964439f8f7e3cdaebd9d121
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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