HRID201281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67049717

Acetic acid, 2-[4-(bromomethyl)phenoxy]-, methyl ester

C10H11BrO3

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)COc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1

HCID67050114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b51108715934446db380ecb51b03d3c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:27][O:28][C:29]([CH2:30][O:31][c:32]1[cH:33][cH:34][c:35]([CH2:38][Br:39])[cH:36][cH:37]1)=[O:40].[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][CH2:38][c:35]2[cH:34][cH:33][c:32]([O:31][CH2:30][C:29]([O:28][CH3:27])=[O:40])[cH:37][cH:36]2)[cH:7]1