HRID106820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14668531

未命名化合物

结构：Cc1oc(Cc2ccc(Br)cc2)c(C(=O)c2cc(C(C)C)c(O)c(C(C)C)c2)c1C

HCID23445616

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(Cc2ccc(Br)cc2)c(C(=O)c2cc(C(C)C)c(OS(=O)(=O)c3ccc(C(=O)O)c(O)c3)c(C(C)C)c2)c1C

HCID10305212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86e8c50adb084c92a47fa03c62f1704f
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

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