HRID150167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID15413

Methyl tert-butyl ether

C5H12O

HCID2755996

4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acid

C12H21NO4

HCID2757052

Benzenamine, 4-bromo-N-methyl-

C7H8BrN

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：CN(C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(Br)cc1

HCID58438182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77134c9ae534991a74d9e717581a4b3
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

[Br:18][c:19]1[cH:20][cH:21][c:22]([NH:23][CH3:24])[cH:25][cH:26]1.[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[OH:17])[CH2:13][CH2:14]1.[C:63]([O:64][CH3:65])([CH3:66])([CH3:67])[CH3:68].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:17])[N:23]([c:22]2[cH:21][cH:20][c:19]([Br:18])[cH:26][cH:25]2)[CH3:24])[CH2:13][CH2:14]1