HRID952748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11182605

O-(cyclopropylmethyl)hydroxylamine

C4H9NO

HCID11580925

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)cc1=O

HCID11611241

4-[(4-Bromo-2-fluorophenyl)amino]-N-(cyclopropylmethoxy)-1,6-dihydro-1-methyl-6-oxo-3-pyridinecarboxamide

C17H17BrFN3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1139ff4ffef0419d8cfb415286de8488
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:20])[c:5]([NH:8][c:9]2[c:10]([C:17](=[O:18])[OH:19])[cH:11][n:12]([CH3:16])[c:13](=[O:15])[cH:14]2)[cH:6][cH:7]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:31]1([CH2:34][O:35][NH2:36])[CH2:32][CH2:33]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH:21][n:22]1[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[n:29][n:30]1>>[Br:1][c:2]1[cH:3][c:4]([F:20])[c:5]([NH:8][c:9]2[c:10]([C:17](=[O:19])[NH:36][O:35][CH2:34][CH:31]3[CH2:32][CH2:33]3)[cH:11][n:12]([CH3:16])[c:13](=[O:15])[cH:14]2)[cH:6][cH:7]1