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Hydrochloric Acid → (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone

HRID 206354
Notes
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Reaction equation

HRID 206354 reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][C:42]#[N:43].[CH:1]1([CH2:4][O:5][c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[CH2:2][CH2:3]1.[ClH:19].[N:20]1([c:26]2[n:27][s:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][cH:34]3)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1>>[CH:1]1([CH2:4][O:5][c:6]2[c:7]([C:8](=[O:10])[N:23]3[CH2:22][CH2:21][N:20]([c:26]4[n:27][s:28][c:29]5[c:30]4[cH:31][cH:32][cH:33][cH:34]5)[CH2:25][CH2:24]3)[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]2)[CH2:2][CH2:3]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 211002282-Cyclopropylmethoxy-5-methanesulfonyl-benzoic acid

Product 1

HCID 11569037
(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-cyclopropylmethoxy-5-methanesulfonyl-phenyl)-methanone

Sources & evidence

ORD record
ord-fa1133b2ef2649bea9b464f512f33566
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes