HRID287117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID14343

4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-

C11H9NO3

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID130500

未命名化合物

HCID3146743

3-Phenylpyrrolidine

C10H13N

PRODUCTS

产物

反应SMILES：Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2ccccc2)C1

HCID59170027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-76e07d26ff08466b973ffa3e71062c0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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