HRID1209280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID123138

Ethyl radical

C2H5

结构：COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=O)O)c1

HCID10903076

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Oc2cccc(C(F)(F)F)c2)nc(C(=O)NO)c1

HCID18326201

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4578e46792747ebbe32410f64f751b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:30]([N:31]([CH2:32][CH3:33])[CH2:34][CH3:35])[CH3:36].[CH2:37][CH3:38].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:20](=[O:21])[OH:22])[n:6][c:7]([O:9][c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[cH:8]1.[ClH:27].[NH2:28][OH:29].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[S:23]([Cl:24])([Cl:25])=[O:26].[cH:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:20](=[O:22])[NH:28][OH:29])[n:6][c:7]([O:9][c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]2)[cH:8]1