Hydrochloric Acid → Citric Acid

HRID 150101Notes

Reaction equation

HRID 150101 reaction equation
[C:48]([CH2:49][C:50]([OH:51])([C:52](=[O:53])[O-:54])[CH2:55][C:56](=[O:57])[O-:58])(=[O:59])[O-:60].[CH3:2][S:3](=[O:4])(=[O:5])[NH:6][c:7]1[c:8]([CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:9][cH:10][cH:11][cH:12]1.[Cl:19][c:20]1[cH:21][c:22]([CH:27]([CH2:28][N:29]([C:30](=[O:31])[c:32]2[cH:33][c:34]([C:42]#[N:43])[cH:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[CH3:44])[CH2:45][CH:46]=[O:47])[cH:23][cH:24][c:25]1[Cl:26].[ClH:1]>>[C:48]([CH2:49][C:50]([OH:51])([C:52](=[O:53])[OH:54])[CH2:55][C:56](=[O:57])[OH:58])(=[O:59])[OH:60].[CH3:2][S:3](=[O:4])(=[O:5])[NH:6][c:7]1[c:8]([CH:13]2[CH2:14][CH2:15][N:16]([CH2:46][CH2:45][CH:27]([c:22]3[cH:21][c:20]([Cl:19])[c:25]([Cl:26])[cH:24][cH:23]3)[CH2:28][N:29]([C:30](=[O:31])[c:32]3[cH:33][c:34]([C:42]#[N:43])[cH:35][c:36]4[cH:37][cH:38][cH:39][cH:40][c:41]34)[CH3:44])[CH2:17][CH2:18]2)[cH:9][cH:10][cH:11][cH:12]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 31348CitrateHCID 22266255Methanesulfonamide, N-[2-(4-piperidinyl)phenyl]-HCID 226366813-cyano-N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylnaphthalene-1-carboxamide

Product 2

HCID 311Citric AcidHCID 226223563-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(methanesulfonamido)phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

Sources & evidence

ORD record
ord-a9303f50635948f18b4c9955604571df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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