HRID1558318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)c1cc(CC(=O)Nc2cc(Cl)cc(Br)c2OC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

HCID15521188

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CC(=O)Nc2cc(Cl)cc(Br)c2O)cc(C(C)(C)C)c1O

HCID15521189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-644da0549ca046b6a171f50c2d2c46db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([Cl:46])[cH:23][c:24]([Br:45])[c:25]2[O:26][C:27](=[O:28])[CH2:29][c:30]2[cH:31][c:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]([OH:38])[c:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:44]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[C:47](=[O:48])([O-:49])[O-:50].[CH3:54][OH:55].[ClH:53].[K+:51].[K+:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([Cl:46])[cH:23][c:24]([Br:45])[c:25]2[OH:26])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]