HRID85882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11770640

Methyl [4-(bromomethyl)phenyl]acetate

C10H11BrO2

结构：CC(c1ccc(O)cc1Cl)C(O)(c1cccc2cnccc12)C(F)(F)F

HCID57421301

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(COc2ccc(C(C)C(O)(c3cccc4cnccc34)C(F)(F)F)c(Cl)c2)cc1

HCID66699190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a20a9694c8d74f7dadd08d7193560fba
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

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