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

HRID 1236797Notes

Reaction equation

HRID 1236797 reaction equation
[CH3:43][C:44]#[N:45].[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](=[N:18][OH:19])[CH2:12][N:13]([CH3:17])[S:14]2(=[O:15])=[O:16].[ClH:20].[F:21][c:22]1[cH:23][cH:24][c:25]([C:26](=[O:27])[CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:34][cH:35]1.[I-:42].[Na+:36].[Na+:41].[OH:37][C:38](=[O:39])[O-:40]>>[CH2:2]([CH2:3][CH2:4][CH2:5][n:6]1[cH:7][cH:8][c:9]2[c:10]1[C:11](=[N:18][OH:19])[CH2:12][N:13]([CH3:17])[S:14]2(=[O:15])=[O:16])[N:31]1[CH2:30][CH2:29][CH:28]([C:26]([c:25]2[cH:24][cH:23][c:22]([F:21])[cH:35][cH:34]2)=[O:27])[CH2:33][CH2:32]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 739931405-(4-Chlorobutyl)-4-hydroxyimino-2-methyl-2,3,4,5-tetrahydropyrrolo[2,3-e][1,2]thiazine 1,1-dioxide

Product 1

HCID 749532685-[4-[4-(4-Fluorobenzoyl)piperidino]-butyl]-4-hydroxyimino-2-methyl-2,3,4,5-tetrahydropyrrolo[2,3-e][1,2]thiazine 1,1-dioxide

Sources & evidence

ORD record
ord-802f8d9abf874f0abbb8752707974244
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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