HRID2147227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11357283

tert-Butyl 2-amino-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carboxylate

C11H17N3O2S

结构：CC(C)n1ccnc1Nc1nc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1

HCID59522617

未命名化合物

HCID178418790

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2nc(Nc3nc4ccc(C(=O)Nc5ccc6cn[nH]c6c5)cc4[nH]3)sc2C1

HCID59522556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fe059916fcd45ef8b792263cae700df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14][c:15]([NH2:17])[s:16]2)[CH2:12][CH2:13]1.[N-:18]=[C:19]=[S:20].[nH:21]1[n:22][cH:23][c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[c:33]3[cH:34][c:35]4[c:36]([n:37][c:38]([NH:40][c:41]5[n:42]([CH:43]([CH3:44])[CH3:45])[cH:46][cH:47][n:48]5)[nH:39]4)[cH:49][cH:50]3)[cH:28][c:29]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14][c:15]([NH:17][c:38]3[n:37][c:36]4[c:35]([cH:34][c:33]([C:31]([NH:30][c:27]5[cH:26][cH:25][c:24]6[cH:23][n:22][nH:21][c:29]6[cH:28]5)=[O:32])[cH:50][cH:49]4)[nH:39]3)[s:16]2)[CH2:12][CH2:13]1