Methanesulfonic Acid → 8-(3-Amino-1-azetidinyl)-1-cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

HRID 667983Notes

Reaction equation

HRID 667983 reaction equation
[CH3:27][S:28]([OH:29])(=[O:30])=[O:31].[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[CH:1]1([n:4]2[cH:5][c:6]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:7](=[O:21])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[c:14]([F:20])[c:15]([F:19])[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1.[NH2:37][CH:38]1[CH2:39][NH:40][CH2:41]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:7](=[O:21])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[c:14]([F:20])[c:15]([N:40]2[CH2:39][CH:38]([NH2:37])[CH2:41]2)[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 1516506Azetidin-3-amineHCID 185491641-Cyclopropyl-3-ethoxycarbonyl-7,8,9-trifluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 194237668-(3-Amino-1-azetidinyl)-1-cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Sources & evidence

ORD record
ord-8ffb2f445a7c4fbc8d22cde6a13840e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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