HRID316592

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：Oc1ncccc1-c1nc2cc(F)c(F)cc2n1Cc1ccccc1

HCID178517705

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2Cc2ccccc2)cc1

HCID67050302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e0ee82f63b143feaec5f83abbac6c3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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