HRID296028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID575134

未命名化合物

HCID13530069

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)CC(C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(C)C

HCID9844066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57f4176c549849d3822fc89561b28504
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

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