Hydrochloric Acid → Citric Acid

HRID 302515Notes

Reaction equation

HRID 302515 reaction equation
[C:47]([CH2:48][C:49]([OH:50])([C:51](=[O:52])[O-:53])[CH2:54][C:55](=[O:56])[O-:57])(=[O:58])[O-:59].[CH3:3][N:4]([c:5]1[c:6]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1)[CH3:17].[Cl:18][c:19]1[cH:20][c:21]([CH:26]([CH2:27][N:28]([C:29](=[O:30])[c:31]2[cH:32][c:33]([C:41]#[N:42])[cH:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]23)[CH3:43])[CH2:44][CH:45]=[O:46])[cH:22][cH:23][c:24]1[Cl:25].[ClH:1].[ClH:2]>>[C:47]([CH2:48][C:49]([OH:50])([C:51](=[O:52])[OH:53])[CH2:54][C:55](=[O:56])[OH:57])(=[O:58])[OH:59].[CH3:3][N:4]([c:5]1[c:6]([CH:11]2[CH2:12][CH2:13][N:14]([CH2:45][CH2:44][CH:26]([c:21]3[cH:20][c:19]([Cl:18])[c:24]([Cl:25])[cH:23][cH:22]3)[CH2:27][N:28]([C:29](=[O:30])[c:31]3[cH:32][c:33]([C:41]#[N:42])[cH:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]34)[CH3:43])[CH2:15][CH2:16]2)[cH:7][cH:8][cH:9][cH:10]1)[CH3:17]

Participants

6

Reactant 4

HCID 313Hydrochloric Acid2×HCID 31348CitrateHCID 22622468N,N-dimethyl-2-(piperidin-4-yl)anilineHCID 226366813-cyano-N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylnaphthalene-1-carboxamide

Product 2

HCID 311Citric AcidHCID 226224603-cyano-N-[2-(3,4-dichlorophenyl)-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide

Sources & evidence

ORD record
ord-923fc0f68923490195f782d03fc0d277
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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