HRID86208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl Acetate

C4H8O2

HCID123496

2-Acetoxyisobutyroyl chloride

C6H9ClO3

HCID67009873

未命名化合物

PRODUCTS

产物

HCID67010187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4f9d170eec274efab243d8e58e74d7c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:36]([CH3:37])(=[O:38])[O:39][C:40]([C:41](=[O:42])[Cl:43])([CH3:44])[CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[OH2:52].[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1.[cH:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[O:1]([CH:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:30][CH2:31][CH3:32])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23]([C:28]#[N:29])[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:33][cH:34][cH:35]3)[CH2:6][CH2:7]1)[C:41]([C:40]([O:39][C:36]([CH3:37])=[O:38])([CH3:44])[CH3:45])=[O:42]