Acetic Acid → RP60556A

HRID 2310426Notes

Reaction equation

HRID 2310426 reaction equation
[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[c:3]([F:21])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH3:19])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:20]1.[F:22][c:23]1[cH:24][cH:25][c:26]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:27][cH:28]1.[OH2:45].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([c:26]3[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]3)[CH2:34][CH2:33]2)[c:3]([F:21])[cH:4][c:5]2[c:6]([n:7][c:8]3[n:9]([CH3:19])[cH:10][c:11]([C:16](=[O:17])[OH:18])[c:12](=[O:15])[c:13]3[cH:14]2)[cH:20]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1049PyridineHCID 752601-(4-Fluorophenyl)piperazineHCID 147005548-Chloro-7-fluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acid

Product 1

HCID 484065RP60556A

Sources & evidence

ORD record
ord-16ac8356480d42ccb99fb8a1a36aaec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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