Hydrochloric Acid → 2-(3,4-Dichloro-phenyl)-4-(4-methanesulfonyl-piperazin-1-yl)-butyric acid

Reaction equation

[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[CH3:16])[CH2:11][CH2:12]1)[c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)=[O:25].[ClH:29].[Li+:27].[OH-:26].[OH2:28].[OH2:30]>>[O:2]=[C:3]([CH:4]([CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[CH3:16])[CH2:11][CH2:12]1)[c:17]1[cH:18][c:19]([Cl:24])[c:20]([Cl:23])[cH:21][cH:22]1)[OH:25]

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 961Hydroxide

HCID 962Water2×

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 578435832-(3,4-Dichloro-phenyl)-4-(4-methanesulfonyl-piperazin-1-yl)-butyric acid methyl ester

Product 1

Sources & evidence

ORD record: ord-368ff72389a9412b93b95d09ff428358
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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