HRID170795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID256687

Methyl 4-(bromomethyl)benzoate

C9H9BrO2

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)c1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1

HCID67049651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2e152ed2c34402ebf59e138e08a6ef0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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