Hexafluorophosphate → 2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide

HRID 174476Notes

Reaction equation

HRID 174476 reaction equation
[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:14][CH3:15])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1.[NH2:16][CH:17]1[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]2)[cH:7][c:8]([O:14][CH3:15])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375314-Amino-1-methylpiperidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579556142-Fluoro-5-methoxy-4-nitrobenzoic acid

Product 1

HCID 671177462-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide

Sources & evidence

ORD record
ord-2111f2b51da146eba74edf27994cbe79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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