HRID1541406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID11357283

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

C11H17N3O2S

结构：O=C(Nc1nc2cccc(C(=O)O)c2[nH]1)c1cc2ccccc2cn1

HCID178522491

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc4nc(NC(=O)c5cc6ccccc6cn5)[nH]c34)sc2C1

HCID178451658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3de201731516479488fb1f44703bd188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:59]([CH3:60])([CH3:61])([CH3:62])[O:63][C:64](=[O:65])[N:66]1[CH2:67][c:68]2[c:69]([n:72][c:73]([NH2:75])[s:74]2)[CH2:70][CH2:71]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16]3[c:17]([n:18]2)[cH:19][cH:20][cH:21][c:22]3[C:23](=[O:24])[OH:25])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[cH:1]1[n:2][c:3]([C:11](=[O:12])[NH:13][c:14]2[nH:15][c:16]3[c:17]([n:18]2)[cH:19][cH:20][cH:21][c:22]3[C:23](=[O:24])[NH:75][c:73]2[n:72][c:69]3[c:68]([s:74]2)[CH2:67][N:66]([C:64]([O:63][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:65])[CH2:71][CH2:70]3)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12