Acetate → Citric Acid
Reaction equation
[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([CH2:51][C:52]([OH:53])([C:54](=[O:55])[O-:56])[CH2:57][C:58](=[O:59])[O-:60])(=[O:61])[O-:62].[CH3:63][C:64](=[O:65])[OH:66].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:24]#[N:25])[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH3:26])[CH2:27][CH:28]=[O:29])[cH:5][cH:6][c:7]1[Cl:8].[F:30][C:31]([c:32]1[s:33][cH:34][cH:35][c:36]1[CH:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1)([F:43])[F:44].[Na+:49]>>[C:50]([CH2:51][C:52]([OH:53])([C:54](=[O:55])[OH:56])[CH2:57][C:58](=[O:59])[OH:60])(=[O:61])[OH:62].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][c:16]([C:24]#[N:25])[cH:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[CH3:26])[CH2:27][CH2:28][N:40]2[CH2:39][CH2:38][CH:37]([c:36]3[c:32]([C:31]([F:30])([F:43])[F:44])[s:33][cH:34][cH:35]3)[CH2:42][CH2:41]2)[cH:5][cH:6][c:7]1[Cl:8]Participants
8
Sources & evidence
- ORD record
- ord-8635f59bce6e4efa90e627f1ba56e327
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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