HRID193214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID671225

(1-methyl-1H-pyrazol-4-yl)methanamine

C5H9N3

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

HCID66661155

未命名化合物

结构：Cc1nc(N2C(=O)N(Cc3ccc(F)cc3)CC2C)sc1C(=O)O

HCID66661380

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2C(=O)N(Cc3ccc(F)cc3)CC2C)sc1C(=O)NCc1cnn(C)c1

HCID66661549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-124928f86a224dfb88347884668f42ea
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][n:10]1[n:11][cH:12][c:13]([CH2:15][NH2:16])[cH:14]1.[F:17][c:18]1[cH:19][cH:20][c:21]([CH2:22][N:23]2[CH:24]([CH3:25])[CH2:26][N:27]([c:28]3[s:29][c:30]([C:31]([OH:32])=[O:33])[c:34]([CH3:35])[n:36]3)[C:37]2=[O:38])[cH:39][cH:40]1.[F:41][c:42]1[cH:43][cH:44][c:45]([CH2:46][N:47]2[C:48](=[O:62])[N:49]([c:53]3[s:54][c:55]([C:59](=[O:60])[OH:61])[c:56]([CH3:58])[n:57]3)[CH:50]([CH3:52])[CH2:51]2)[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][n:10]1[n:11][cH:12][c:13]([CH2:15][NH:16][C:59]([c:55]2[s:54][c:53]([N:49]3[C:48](=[O:62])[N:47]([CH2:46][c:45]4[cH:44][cH:43][c:42]([F:41])[cH:64][cH:63]4)[CH2:51][CH:50]3[CH3:52])[n:57][c:56]2[CH3:58])=[O:60])[cH:14]1