HRID205225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737586

2-Fluoro-3-(trifluoromethyl)phenol

C7H4F4O

结构：OCc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

HCID11223110

未命名化合物

PRODUCTS

生成物

结构：Fc1c(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cccc1C(F)(F)F

HCID86598777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c68c30a355ee432b9ed62a0cf776ad5e
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

[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:26]([F:27])([F:28])[F:29])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][cH:23]1.[F:30][c:31]1[c:32]([OH:41])[cH:33][cH:34][cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]>>[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:26]([F:27])([F:28])[F:29])[cH:13][cH:14][cH:15][c:16]2[c:17]1-[c:18]1[cH:19][c:20]([CH2:24][O:25][c:32]2[c:31]([F:30])[c:36]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:34][cH:33]2)[cH:21][cH:22][cH:23]1