Citric Acid → HCID 11202530, compound
Reaction equation
[CH3:25][c:26]1[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[NH2:35])[n:30][cH:31]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][c:6]([Cl:17])[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1.[K:24].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:63].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[c:2]1([NH:35][S:32]([c:29]2[cH:28][cH:27][c:26]([CH3:25])[cH:31][n:30]2)(=[O:33])=[O:34])[n:3][c:4](-[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[n:5][c:6]([Cl:17])[c:7]1[O:8][c:9]1[c:10]([O:15][CH3:16])[cH:11][cH:12][cH:13][cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-cba9786e21d34c7f951663d6988f64d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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