HRID146608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID12784

Benzene, pentamethyl-

C11H16

HCID68535450

未命名化合物

PRODUCTS

产物

HCID68537454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6d58b0559e994545b9bdf984bd130250
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH2:15][CH2:16][CH2:17][n:18]2[c:19](=[O:37])[cH:20][cH:21][c:22]([CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:23]2)[cH:12][cH:13][cH:14]1.[CH3:45][c:46]1[c:47]([CH3:48])[c:49]([CH3:50])[c:51]([CH3:52])[c:53]([CH3:54])[cH:55]1.[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[OH:8][c:9]1[cH:10][c:11]([CH2:15][CH2:16][CH2:17][n:18]2[c:19](=[O:37])[cH:20][cH:21][c:22]([CH:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:23]2)[cH:12][cH:13][cH:14]1