HRID109911

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-

HCID130500

未命名化合物

HCID136914

Benzenamine, 4-(phenylmethyl)-

C13H13N

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID18441958

2-Fluoro-4-formylbenzoic acid

C8H5FO3

PRODUCTS

生成物

结构：O=Cc1ccc(C(=O)Nc2ccc(Cc3ccccc3)cc2)c(F)c1

HCID57625195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fde7cb203ecc470d996f28dd457c0e95
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([NH2:14])[cH:12][cH:13]1.[CH2:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[F:15][c:16]1[c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]([CH:25]=[O:26])[cH:24]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11]([NH:14][C:18]([c:17]2[c:16]([F:15])[cH:24][c:23]([CH:25]=[O:26])[cH:22][cH:21]2)=[O:19])[cH:12][cH:13]1