HRID122050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23286

Cyclohexanol, 2-amino-

C6H13NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID58192592

5-Bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid

C8H5BrF3NO3

PRODUCTS

生成物

结构：O=C(NC1CCCCC1O)c1cnc(OCC(F)(F)F)c(Br)c1

HCID58192591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35d2cb99173c46c1b5e735a47d01f2d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:17]([F:18])([F:19])([F:20])[F:21].[Br:1][c:2]1[c:3]([O:11][CH2:12][C:13]([F:14])([F:15])[F:16])[n:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[ClH:48].[NH2:49][CH:50]1[CH:51]([OH:56])[CH2:52][CH2:53][CH2:54][CH2:55]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[c:3]([O:11][CH2:12][C:13]([F:14])([F:15])[F:16])[n:4][cH:5][c:6]([C:7](=[O:9])[NH:49][CH:50]2[CH:51]([OH:56])[CH2:52][CH2:53][CH2:54][CH2:55]2)[cH:10]1