Methanesulfonic Acid → HCID 19423654, compound

HRID 1555481Notes

Reaction equation

HRID 1555481 reaction equation
[CH3:26][S:27]([OH:28])(=[O:29])=[O:30].[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([F:19])[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1.[NH2:36][CH:37]1[CH2:38][NH:39][CH2:40]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:7](=[O:20])[c:8]3[cH:9][c:10]4[c:11]([n:12][c:13]23)[cH:14][c:15]([N:39]2[CH2:38][CH:37]([NH2:36])[CH2:40]2)[c:16]([F:18])[cH:17]4)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 6395Methanesulfonic Acid2×HCID 1516506Azetidin-3-amineHCID 148533401-Cyclopropyl-3-ethoxycarbonyl-7,8-difluoro-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Product 1

HCID 19423654HCID 19423654, compound

Sources & evidence

ORD record
ord-1a37b46274ab431286aad9261d0e5972
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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