HRID698637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID2756771

4-N-Boc-aminophenol

C11H15NO3

结构：O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1

HCID3535228

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2[N+](=O)[O-])cc1

HCID67040356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ee06d6093ef4b31b02fa4ef90e6d38f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:20](=[O:21])([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]1.[CH3:38][S:39]([CH3:40])=[O:41].[F:1][c:2]1[c:3]([N+:17](=[O:18])[O-:19])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[O:16])[cH:6][cH:7]1.[K+:36].[OH-:35].[OH2:37]>>[c:2]1([O:34][c:31]2[cH:30][cH:29][c:28]([NH:27][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:33][cH:32]2)[c:3]([N+:17](=[O:18])[O-:19])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[O:16])[cH:6][cH:7]1