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

HRID 91200Notes

Reaction equation

HRID 91200 reaction equation
[CH3:45][OH:46].[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:38](=[O:39])[O:40][CH3:41])[N:19]([N:23]([CH:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]5)[CH2:28][CH2:29]4)[CH3:37])[C:20](=[O:22])[CH2:21]3)[cH:9][c:10]2[cH:11][cH:12]1.[ClH:1].[ClH:44].[Na+:43].[OH-:42]>>[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:38](=[O:39])[OH:40])[N:19]([N:23]([CH:24]4[CH2:25][CH2:26][N:27]([c:30]5[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]5)[CH2:28][CH2:29]4)[CH3:37])[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 22727061Methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]amino]-6-oxopiperazine-2-carboxylate

Product 1

HCID 227271054-[(6-Chloro-2-naphthyl)sulfonyl]-1-[methyl[1-(2-methyl-4-pyridinyl)-4-piperidinyl]amino]-6-oxo-2-piperazinecarboxylic Acid

Sources & evidence

ORD record
ord-c0befdad96d6487bb00ff393dcd46b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…