HRID94242

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID419223

4-Aminotetrahydropyran

C5H11NO

HCID66643719

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(CCc2conc2-c2ccccn2)sc1C(=O)NC1CCOCC1

HCID49782714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49f91a170f064a0f8c9b8bddb2a96634
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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