HRID170017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID139565

Difluoroborane

HBF2

HCID18333197

4-Methylpiperidin-3-amine

C6H14N2

结构：COc1c(F)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID22662081

1-Cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C14H12FNO4

PRODUCTS

生成物

HCID139565

Difluoroborane

HBF2

结构：COc1c(N2CCC(C)C(N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID18333190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc855d809aa14d4cbf1d65ab1e1ccf8e
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

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