HRID195575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CCN(CC)CCCNc1nc(-c2ccc(C(=O)O)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57434625

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCNc1nc(-c2ccc(C(=O)Nc3nccs3)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID59212756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e404be135c949b6a5a2efa5687e10fd
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

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