HRID679036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID13863507

3-(Benzoylamino)-2-methylbutanoic acid

C12H15NO3

HCID23131143

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

HCID68475444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbc4b32b638d4d8b92000fb0ae62a853
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

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]([CH:11]([C:12](=[O:13])[OH:14])[CH3:15])[CH3:16].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:17][c:18]1[cH:19][cH:20][c:21]([C:24]2([OH:32])[C:25]([CH3:30])([CH3:31])[CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]([CH:11]([C:12](=[O:14])[N:27]1[CH2:26][C:25]([CH3:30])([CH3:31])[C:24]([c:21]2[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]2)([OH:32])[CH2:29][CH2:28]1)[CH3:15])[CH3:16]