Methanesulfonic Acid → HCID 19423732, compound

HRID 687347Notes

Reaction equation

HRID 687347 reaction equation
[CH3:22][S:23]([OH:24])(=[O:25])=[O:26].[CH3:27][S:28]([OH:29])(=[O:30])=[O:31].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[F:21].[NH2:32][C:33]1([CH2:37][CH3:38])[CH2:34][NH:35][CH2:36]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8]([CH3:18])[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[cH:19][c:20]1[N:35]1[CH2:34][C:33]([NH2:32])([CH2:37][CH3:38])[CH2:36]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 111970267,8-Difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carboxylic acidHCID 194236443-Ethylazetidin-3-amine

Product 1

HCID 19423732HCID 19423732, compound

Sources & evidence

ORD record
ord-ffd3395818fe4afab4cd405eb7fd4f14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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