HRID175437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID2776306

1-(5-Methyl-1,2-oxazol-3-yl)methanamine

C5H8N2O

结构：Cc1nc(N2CC(C)N(Cc3ccc(F)cc3)C2=O)sc1C(=O)O

HCID66661155

未命名化合物

2 次

PRODUCTS

生成物

结构：Cc1cc(CNC(=O)c2sc(N3CC(C)N(Cc4ccc(F)cc4)C3=O)nc2C)no1

HCID66661524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34fb391fc9c945478cc763519b5e86e8
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

[CH3:9][c:10]1[cH:11][c:12]([CH2:15][NH2:16])[n:13][o:14]1.[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][N:23]2[C:24](=[O:38])[N:25]([c:29]3[s:30][c:31]([C:35](=[O:36])[OH:37])[c:32]([CH3:34])[n:33]3)[CH2:26][CH:27]2[CH3:28])[cH:39][cH:40]1.[F:41][c:42]1[cH:43][cH:44][c:45]([CH2:46][N:47]2[CH:48]([CH3:49])[CH2:50][N:51]([c:52]3[s:53][c:54]([C:55]([OH:56])=[O:57])[c:58]([CH3:59])[n:60]3)[C:61]2=[O:62])[cH:63][cH:64]1.[n:1]1[cH:2][cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8]1>>[CH3:9][c:10]1[cH:11][c:12]([CH2:15][NH:16][C:35]([c:31]2[s:30][c:29]([N:25]3[C:24](=[O:38])[N:23]([CH2:22][c:21]4[cH:20][cH:19][c:18]([F:17])[cH:40][cH:39]4)[CH:27]([CH3:28])[CH2:26]3)[n:33][c:32]2[CH3:34])=[O:36])[n:13][o:14]1