HRID2160156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID518800

Methyl 2-hydroxy-3-phenylpropanoate

C10H12O3

结构：Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O)c(Br)c2)cc1

HCID9915604

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)oc3C)cc2)cc1Br

HCID10439812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65f1f2cb52d745199a3f9c226c1b8d59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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