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Hydrochloric Acid → 8-(3-Dimethylamino-1-azetidinyl)-3-ethoxycarbonyl-7-fluoro-1-methyl-4-oxo1,4-dihydrobenzo[b][1,8]naphthyridine

HRID 94537
Notes
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Reaction equation

HRID 94537 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:23])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[cH:17][c:18]([F:22])[c:19]([F:21])[cH:20]3.[CH3:26][N:27]([CH:28]1[CH2:29][NH:30][CH2:31]1)[CH3:32].[CH3:40][S:41](=[O:42])[CH3:43].[ClH:24].[ClH:25].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:39]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7](=[O:23])[c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]2[n:14]([CH3:16])[cH:15]1)[cH:17][c:18]([N:30]1[CH2:29][CH:28]([N:27]([CH3:26])[CH3:32])[CH2:31]1)[c:19]([F:21])[cH:20]3
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 923Sodium Ion2×HCID 962WaterHCID 19660Carbonate IonHCID 98399873-Ethoxycarbonyl-7,8-difluoro-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine
HCID 10351656
N,N-dimethylazetidin-3-amine

Product 1

HCID 194237388-(3-Dimethylamino-1-azetidinyl)-3-ethoxycarbonyl-7-fluoro-1-methyl-4-oxo1,4-dihydrobenzo[b][1,8]naphthyridine

Sources & evidence

ORD record
ord-36bdbbb90cbd4ac5a92573890690f329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes