HRID123882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11770640

Methyl [4-(bromomethyl)phenyl]acetate

C10H11BrO2

结构：Oc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1

HCID136378478

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1

HCID67049944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68eda9a84190499b90529e97e38e3894
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][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([O:8][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:7]1