HRID308118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID69861

4-tert-Butylaniline

C10H15N

HCID130500

未命名化合物

HCID57951449

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)C2=NOC3(CCC(C(C)(C)C)CC3)C2)cc1

HCID57951457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9fdda491a11424a8a10100483747f03
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

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