Citric Acid → HCID 67132972, compound
Reaction equation
[Cl:45][C:46](=[O:47])[O:48][CH2:49][CH2:50][CH2:51][CH3:52].[Cl:66][CH2:67][Cl:68].[N:34]1([c:35]2[cH:36][cH:37][cH:38][cH:39][n:40]2)[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65].[n:1]1[cH:2][n:3]([CH2:10][c:11]2[cH:12][c:13](-[c:17]3[c:18]([S:26](=[O:27])(=[O:28])[NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])[s:19][c:20]([CH2:22][CH:23]([CH3:24])[CH3:25])[cH:21]3)[cH:14][cH:15][cH:16]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12>>[n:1]1[cH:2][n:3]([CH2:10][c:11]2[cH:12][c:13](-[c:17]3[c:18]([S:26](=[O:27])(=[O:28])[NH:29][C:46](=[O:47])[O:48][CH2:49][CH2:50][CH2:51][CH3:52])[s:19][c:20]([CH2:22][CH:23]([CH3:24])[CH3:25])[cH:21]3)[cH:14][cH:15][cH:16]2)[c:4]2[n:5][cH:6][cH:7][cH:8][c:9]12Participants
6
Sources & evidence
- ORD record
- ord-9868e076f77845a297229be2335e53fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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