HRID2313661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID53394928

未命名化合物

PRODUCTS

产物

HCID54545150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-43b5d08a74d24f5f88bf7b194224048e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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