HRID1564114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID3613651

3-(Pyrrolidin-3-yl)pyridine

C9H12N2

HCID59170121

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(-c2nocc2C(=O)N2CCC(c3cccnc3)C2)cc1

HCID59170037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ed1f84fea6094347bb32f55ea90da2f1
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

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