Hydrochloric Acid → 3-{4-[2-(3-Methyl-2-nitro-phenyl)-ethyl]-piperazin-1-yl}-1,2-benzisothiazole

HRID 2123231Notes

Reaction equation

HRID 2123231 reaction equation
[ClH:1].[N:2]1([c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[O:17]([S:18]([c:19]1[cH:20][cH:21][c:22]([CH3:23])[cH:24][cH:25]1)(=[O:26])=[O:27])[CH2:28][CH2:29][c:30]1[c:31]([N+:37](=[O:38])[O-:39])[c:32]([CH3:36])[cH:33][cH:34][cH:35]1>>[N:2]1([c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:3][CH2:4][N:5]([CH2:28][CH2:29][c:30]2[c:31]([N+:37](=[O:38])[O-:39])[c:32]([CH3:36])[cH:33][cH:34][cH:35]2)[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 219632193-Methyl-2-nitrophenethyl tosylate

Product 1

HCID 219631773-{4-[2-(3-Methyl-2-nitro-phenyl)-ethyl]-piperazin-1-yl}-1,2-benzisothiazole

Sources & evidence

ORD record
ord-6e3122a041cc450f868393a0d8a3b5fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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