Citric Acid → HCID 67263936, compound
Reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][O:2][C:3]([CH2:4][N:5]1[c:6]2[c:7]([cH:13][c:14]([NH:17][c:18]3[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]4[c:26]([S:31]([NH:32][CH3:33])(=[O:34])=[O:35])[cH:27][cH:28][cH:29][cH:30]4)[n:23]3)[cH:15][cH:16]2)[CH2:8][CH2:9][CH2:10][C:11]1=[O:12])=[O:37].[Na+:39].[OH-:38].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[O:2]=[C:3]([CH2:4][N:5]1[c:6]2[c:7]([cH:13][c:14]([NH:17][c:18]3[n:19][cH:20][c:21]([Cl:36])[c:22]([NH:24][c:25]4[c:26]([S:31]([NH:32][CH3:33])(=[O:34])=[O:35])[cH:27][cH:28][cH:29][cH:30]4)[n:23]3)[cH:15][cH:16]2)[CH2:8][CH2:9][CH2:10][C:11]1=[O:12])[OH:37]Participants
6
Sources & evidence
- ORD record
- ord-2136b355c2e7412ba6c251f8896c6592
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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