HRID159690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8900

Heptane

C7H16

HCID11470

4-Acetylbenzoic acid

C9H8O3

HCID16115916

未命名化合物

PRODUCTS

产物

HCID69163741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-491b1f5c079b4d21973092dad2a574a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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