Acetic Acid → RP60556A

HRID 2329492Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 962Water

HCID 18549165Ethyl 7-fluoro-8-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylate

Product 1

HCID 484065RP60556A

Sources & evidence

ORD record: ord-96288339944748cba888c77a976f811f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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