HRID1229111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID11503

N-Methylphenethylamine

C9H13N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID270655

Boc-DL-valine

C10H19NO4

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)CCc1ccccc1

HCID67023731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58ecc63c07d743069b0a9d5a7202cf21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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