Hydrochloric Acid → 4-[(6-Chloro-2-naphthyl)sulfonyl)-1-[methyl[1-(4-pyridinyl)-4-piperidinyl]amino]-6-oxo-2-piperazinecarboxylic Acid

HRID 204160Notes

Reaction equation

HRID 204160 reaction equation
[CH3:44][OH:45].[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH:18]([C:37](=[O:38])[O:39][CH3:40])[N:19]([N:23]([CH:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][cH:32][n:33][cH:34][cH:35]5)[CH2:28][CH2:29]4)[CH3:36])[C:20](=[O:22])[CH2:21]3)[cH:9][c:10]2[cH:11][cH:12]1.[ClH:1].[ClH:43].[Na+:42].[OH-:41]>>[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([S:13](=[O:14])(=[O:15])[N:16]3[CH2:17][CH:18]([C:37](=[O:38])[OH:39])[N:19]([N:23]([CH:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][cH:32][n:33][cH:34][cH:35]5)[CH2:28][CH2:29]4)[CH3:36])[C:20](=[O:22])[CH2:21]3)[cH:9][c:10]2[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 22727078Methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazine-2-carboxylate

Product 1

HCID 227272374-[(6-Chloro-2-naphthyl)sulfonyl)-1-[methyl[1-(4-pyridinyl)-4-piperidinyl]amino]-6-oxo-2-piperazinecarboxylic Acid

Sources & evidence

ORD record
ord-0c7ae17055ca4ea4b14d757dc4618a34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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