HRID108880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID8902

Dipropylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID22593641

3-Bromo-5-(methoxycarbonyl)benzoic acid

C9H7BrO4

PRODUCTS

生成物

HCID21939662

Methyl 3-bromo-5-(dipropylcarbamoyl)benzoate

C15H20BrNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8544d0e241e547139612e5b43fb40fae
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

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