HRID663297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18922595

Benzyl 3-hydroxy-2,2-dimethylpropanoate

C12H16O3

结构：Cc1cc(-c2nc3ccc(Oc4ccccc4F)nc3o2)cc(C)c1O

HCID136413238

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nc3ccc(Oc4ccccc4F)nc3o2)cc(C)c1OCC(C)(C)C(=O)OCc1ccccc1

HCID71186253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a7d5780966d449f99762338c2e712b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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