HRID960382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID2782825

2,2-Difluoropropionic acid

C3H4F2O2

结构：Cn1c(Nc2cc(CN)ccc2Cl)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

HCID67958077

未命名化合物

PRODUCTS

生成物

结构：Cn1c(Nc2cc(CNC(=O)C(C)(F)F)ccc2Cl)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

HCID86674341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-732200e5b01e48718a2fe180f65ecb74
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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