HRID153635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)cc3[N+](=O)[O-])cc2)ccc(C(F)(F)F)c1O

HCID11570241

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)cc3N)cc2)ccc(C(F)(F)F)c1O

HCID11540867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ec8aa9085994f65bdbc319f5220d278
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([N+:28]([O-:29])=[O:30])[cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]3)[cH:16][cH:17]2)[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[c:34]1[OH:35].[CH3:40][OH:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([NH2:28])[cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]3)[cH:16][cH:17]2)[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[c:34]1[OH:35]