HRID302627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID2756496

2-(Aminomethyl)-5-methylpyrazine

C6H9N3

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

HCID66661155

未命名化合物

反应SMILES：Cc1nc(N2CC(C)N(Cc3cc(F)cc(F)c3)C2=O)sc1C(=O)O

HCID66661654

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cnc(CNC(=O)c2sc(N3CC(C)N(Cc4cc(F)cc(F)c4)C3=O)nc2C)cn1

HCID66661577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-06157a817f77497c89dbfb2e7027d836
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH3:9][c:10]1[n:11][cH:12][c:13]([CH2:16][NH2:17])[n:14][cH:15]1.[F:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][N:24]2[CH:25]([CH3:26])[CH2:27][N:28]([c:29]3[s:30][c:31]([C:32]([OH:33])=[O:34])[c:35]([CH3:36])[n:37]3)[C:38]2=[O:39])[cH:40][cH:41]1.[F:42][c:43]1[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)[CH2:50][CH:51]2[CH3:52])[cH:63][c:64]([F:66])[cH:65]1.[n:1]1[cH:2][cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8]1>>[CH3:9][c:10]1[n:11][cH:12][c:13]([CH2:16][NH:17][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][c:43]([F:42])[cH:65][c:64]([F:66])[cH:63]4)[CH:51]([CH3:52])[CH2:50]3)[n:57][c:56]2[CH3:58])=[O:60])[n:14][cH:15]1