HRID668152

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

HCID6483898

5-Aminomethyl-3-isopropylisoxazole

C7H12N2O

结构：Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cn1

HCID66599213

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2cc(C(C)C)no2)cn1

HCID68445311

N-[[3-(1-Methylethyl)-5-isoxazolyl]methyl]-6-[(5-methyl-3-phenyl-4-isoxazolyl)methoxy]-3-pyridinecarboxamide

C24H24N4O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78b6246bcd3348e2ac553a4ee354a21d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:24][B-:25]([F:26])([F:27])[F:28].[NH2:55][CH2:56][c:57]1[cH:58][c:59]([CH:62]([CH3:63])[CH3:64])[n:60][o:61]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][cH:17][c:18]([C:19](=[O:21])[NH:55][CH2:56][c:57]3[cH:58][c:59]([CH:62]([CH3:63])[CH3:64])[n:60][o:61]3)[cH:22][cH:23]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1