HRID117087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

结构：COC(=O)CCC(CC(=O)Nc1ccc(C)cc1C)c1noc(C2CC(CC(C)(C)C)C2)c1C1CC1

HCID71114790

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)CC(CCC(=O)O)c2noc(C3CC(CC(C)(C)C)C3)c2C2CC2)c(C)c1

HCID71114794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aafe6bf955e4c8a913db3303eb991fc
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

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