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Hydrochloric Acid → 3-{4-[2-(4-Nitro-phenoxy)-ethyl]-piperazin-1-YL}-1,2-benzisothiazole

HRID 97494
Notes
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Reaction equation

HRID 97494 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:38][C:39]#[N:40].[Cl:25][CH2:26][CH2:27][O:28][c:29]1[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]1.[ClH:7].[I-:24].[K+:23].[K+:5].[K+:6].[N:8]1([c:14]2[n:15][s:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1>>[N:8]1([c:14]2[n:15][s:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:9][CH2:10][N:11]([CH2:26][CH2:27][O:28][c:29]2[cH:30][cH:31][c:32]([N+:35](=[O:36])[O-:37])[cH:33][cH:34]2)[CH2:12][CH2:13]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27645871-(2-Chloroethoxy)-4-nitrobenzeneHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazole

Product 1

HCID 219633113-{4-[2-(4-Nitro-phenoxy)-ethyl]-piperazin-1-YL}-1,2-benzisothiazole

Sources & evidence

ORD record
ord-044da383e0a74cc190c29bd1a8e817a1
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