HRID313785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

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

结构：COC(=O)c1cc(Br)cc(C(=O)NC(C)c2ccc(F)cc2)c1

HCID57529327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9d07ff837154674a34451ae70f39f44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[F:39][c:40]1[cH:41][cH:42][c:43]([CH:46]([CH3:47])[NH2:48])[cH:44][cH:45]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[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])[NH:48][CH:46]([c:43]2[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]2)[CH3:47])[cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]1