HRID2139094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID11464

4-Bromobenzoic acid

C7H5BrO2

HCID2756484

tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1CNC(=O)c1ccc(Br)cc1

HCID58185404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-786c5dddb3814471951acdd193d9001e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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