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Hydrochloric Acid → 5-[4-[4-(4-Fluorobenzoyl)piperidino]butyl]-2-methyl-2,3,4,5-tetrahydropyrrolo[2,3-e][1,2]thiazin-4-one 1,1-dioxide

HRID 2161392
Notes
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Reaction equation

HRID 2161392 reaction equation
[CH3:42][C:43]#[N:44].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:10]1[C:11](=[O:18])[CH2:12][N:13]([CH3:17])[S:14]2(=[O:15])=[O:16].[ClH:19].[F:20][c:21]1[cH:22][cH:23][c:24]([C:25](=[O:26])[CH:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:33][cH:34]1.[I-:41].[Na+:35].[Na+:40].[OH:36][C:37](=[O:38])[O-:39]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:10]1[C:11](=[O:18])[CH2:12][N:13]([CH3:17])[S:14]2(=[O:15])=[O:16])[N:30]1[CH2:29][CH2:28][CH:27]([C:25]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:34][cH:33]2)=[O:26])[CH2:32][CH2:31]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2×HCID 6342AcetonitrileHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 22714965
5-(4-Chlorobutyl)-2-methyl-2,3,4,5-tetrahydropyrrolo[2,3-e][1,2]thiazin-4-one 1,1-dioxide

Product 1

HCID 98043455-[4-[4-(4-Fluorobenzoyl)piperidino]butyl]-2-methyl-2,3,4,5-tetrahydropyrrolo[2,3-e][1,2]thiazin-4-one 1,1-dioxide

Sources & evidence

ORD record
ord-0ac576f1a19e4bd9a47d82381d5f5a04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes