Hydrochloric Acid → Citric Acid
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][NH:3][C: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)=[O:18].[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][NH:3][C:4]([NH:5][c:6]1[c:7]([CH:12]2[CH2:13][CH2:14][N:15]([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])[CH2:16][CH2:17]2)[cH:8][cH:9][cH:10][cH:11]1)=[O:18]Participants
6
Sources & evidence
- ORD record
- ord-1158fdc64dc54669ade084f8d382d6c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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