Hydrochloric Acid → 3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-5-methyl-thiazolidin-4-one

HRID 106490Notes

Reaction equation

HRID 106490 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][S:8][CH:9]([CH3:12])[C:10]1=[O:11].[CH3:37][C:38]#[N:39].[ClH:13].[I-:35].[K+:29].[K+:30].[Na+:36].[O-:31][C:32]([O-:33])=[O:34].[s:14]1[n:15][c:16]([N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2>>[CH2:2]([CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][S:8][CH:9]([CH3:12])[C:10]1=[O:11])[N:26]1[CH2:25][CH2:24][N:23]([c:16]2[n:15][s:14][c:18]3[c:17]2[cH:22][cH:21][cH:20][cH:19]3)[CH2:28][CH2:27]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 106822173-(4-Bromobutyl)-5-methyl-4-thiazolidinone

Product 1

HCID 107391723-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-5-methyl-thiazolidin-4-one

Sources & evidence

ORD record
ord-3e82b1551eb2488989a24476a14fa6b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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