HRID2142599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2778116

5-Chloro-2-(trifluoromethyl)benzyl bromide

C8H5BrClF3

结构：Oc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID53630755

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1ccc(Cl)cc1COc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID86598766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b643d7d3bae4ccdbf99ffa876655e82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([OH:24])[cH:21][cH:22][cH:23]1.[Cl:29][c:30]1[cH:31][cH:32][c:33]([C:38]([F:39])([F:40])[F:41])[c:34]([CH2:35][Br:36])[cH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][n:10][c:11]2[c:12]([C:25]([F:26])([F:27])[F:28])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([O:24][CH2:35][c:34]2[c:33]([C:38]([F:39])([F:40])[F:41])[cH:32][cH:31][c:30]([Cl:29])[cH:37]2)[cH:21][cH:22][cH:23]1