HRID2143583

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

HCID2776514

3-methyl-5-phenylisoxazole-4-carboxylic acid

C11H9NO3

HCID3146743

3-Phenylpyrrolidine

C10H13N

PRODUCTS

生成物

结构：Cc1noc(-c2ccccc2)c1C(=O)N1CCC(c2ccccc2)C1

HCID59170173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d8aabd3997544a9a9543e7ac6ff2162
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:27]([F:28])([F:29])([F:30])[F:31].[CH3:1][c:2]1[n:3][o:4][c:5](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:6]1[C:7](=[O:8])[OH:9].[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[n:3][o:4][c:5](-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:6]1[C:7](=[O:9])[N:24]1[CH2:23][CH:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:26][CH2:25]1