Hydrochloric Acid → Citric Acid

HRID 303966Notes

Reaction equation

HRID 303966 reaction equation
[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[c:7]([CH:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:8][cH:9][cH:10][cH:11]1.[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].[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]>>[C:2]([CH3:3])(=[O:4])[NH:5][c:6]1[c:7]([CH:12]2[CH2:13][CH2:14][N:15]([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])[CH2:16][CH2:17]2)[cH:8][cH:9][cH:10][cH:11]1.[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]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 31348CitrateHCID 22622453N-(2-(Piperidin-4-yl)phenyl)acetamideHCID 226366813-cyano-N-[2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylnaphthalene-1-carboxamide

Product 2

HCID 311Citric AcidHCID 22622237N-[4-[4-(2-acetamidophenyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide

Sources & evidence

ORD record
ord-5de60b60940d4f53b15fef0ac5f9cff8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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