HRID103670

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

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-04ecbe3eba9a45cdbd517734bc944a71
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

[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].[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]