HRID109108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7267

2,5-Dimethylphenol

C8H10O

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：Cc1ccc(C)c(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1

HCID66913624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f1822d7530d4ee7ab41d73a9c605be8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH3:30][c:31]1[c:32]([OH:38])[cH:33][c:34]([CH3:37])[cH:35][cH:36]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: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]([CH3:30])[cH:36][cH:35][c:34]([CH3:37])[cH:33]2)[cH:21][cH:22][cH:23]1