HRID166431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12774812

未命名化合物

HCID18349052

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：COC(=O)CCN(C(=O)c1cc(C)cc(OCCNc2ccncc2)c1)C(C)C

HCID17899570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ae69aeedc4a403da3f1fadf62774255
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:59][O:60][C:61]([CH2:62][CH2:63][NH:64][CH:65]([CH3:66])[CH3:67])=[O:68].[CH3:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16]([O:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[cH:17]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[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>>[CH3:8][c:9]1[cH:10][c:11]([C:12](=[O:14])[N:64]([CH2:63][CH2:62][C:61]([O:60][CH3:59])=[O:68])[CH:65]([CH3:66])[CH3:67])[cH:15][c:16]([O:18][CH2:19][CH2:20][NH:21][c:22]2[cH:23][cH:24][n:25][cH:26][cH:27]2)[cH:17]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]