HRID1214123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1995

N-Acetylleucine

C8H15NO3

HCID226121

N-(1,3-Dioxo-1,3-dihydro-2-benzofuran-4-yl)ethanimidic acid

C10H7NO4

HCID11288792

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC

HCID10151715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98e5d5305c2f460aaba75b46a3a7039c
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:1]([NH:2][CH:3]([C:4]([OH:5])=[O:6])[CH2:7][CH:8]([CH3:9])[CH3:10])(=[O:11])[CH3:12].[C:31]([CH3:32])(=[O:33])[NH:34][c:35]1[c:36]2[c:37]([cH:43][cH:44][cH:45]1)[C:38](=[O:39])[O:40][C:41]2=[O:42].[CH2:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([CH:24]([CH2:25][S:26](=[O:27])(=[O:28])[CH3:29])[NH2:30])[cH:19][cH:20][c:21]1[O:22][CH3:23].[CH3:52][C:53](=[O:54])[OH:55].[K+:51].[P:46]([O-:47])([OH:48])([OH:49])=[O:50]>>[CH2:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([CH:24]([CH2:25][S:26](=[O:27])(=[O:28])[CH3:29])[N:30]2[C:38](=[O:39])[c:37]3[c:36]([c:35]([NH:34][C:31]([CH3:32])=[O:33])[cH:45][cH:44][cH:43]3)[C:41]2=[O:40])[cH:19][cH:20][c:21]1[O:22][CH3:23]