HRID184756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl Acetate

C4H8O2

HCID61147

Acetyl bromide, 2-bromo-

C2H2Br2O

HCID22714353

未命名化合物

PRODUCTS

产物

HCID69019837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-167fab93737f401780c5eee6164f12ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[Br:1][CH2:2][C:3](=[O:4])[Br:5].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:45][C:46](=[O:47])[OH:48].[NH2:6][c:7]1[c:8]([C:28](=[O:29])[c:30]2[cH:31][c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[cH:9][c:10]([C:13]([c:14]2[cH:15][n:16][cH:17][n:18]2[CH3:19])([OH:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:11][cH:12]1.[Na+:44].[OH-:43]>>[Br:1][CH2:2][C:3](=[O:4])[NH:6][c:7]1[c:8]([C:28](=[O:29])[c:30]2[cH:31][c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[cH:9][c:10]([C:13]([c:14]2[cH:15][n:16][cH:17][n:18]2[CH3:19])([OH:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:11][cH:12]1