HRID98531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl Acetate

C4H8O2

HCID21044307

未命名化合物

PRODUCTS

产物

HCID10318417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4e4e51142da243e1b1c88de33919b1b8
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]([O:3][C:4](=[O:2])[CH:5]([CH2:6][c:7]1[c:8]([NH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[n:9][c:10]([NH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[n:11][cH:12]1)[c:27]1[cH:28][n:29][cH:30][cH:31][cH:32]1)[CH3:33].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[S:34](=[O:35])(=[O:36])([OH:37])[OH:38]>>[O:3]=[C:4]1[CH:5]([c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[CH2:6][c:7]2[c:8]([n:9][c:10]([NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:11][cH:12]2)[N:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1