Citric Acid → HCID 67210607, compound
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][c:12]3[c:13]([cH:27][cH:28]1)[C:14](=[CH:23][C:24](=[O:25])[OH:26])[c:15]1[c:16]([cH:19][cH:20][cH:21][cH:22]1)[CH2:17][CH2:18]3)[cH:29][cH:30][cH:31][cH:32]2.[CH2:38]1[CH2:39][CH2:40][C:41]2=[N:46][CH2:45][CH2:44][CH2:43][N:42]2[CH2:47][CH2:48]1.[CH3:33][S:34](=[O:35])(=[O:36])[NH2:37].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][c:12]3[c:13]([cH:27][cH:28]1)[C:14](=[CH:23][C:24](=[O:25])[NH:37][S:34]([CH3:33])(=[O:35])=[O:36])[c:15]1[c:16]([cH:19][cH:20][cH:21][cH:22]1)[CH2:17][CH2:18]3)[cH:29][cH:30][cH:31][cH:32]2Participants
7
Sources & evidence
- ORD record
- ord-6fcd3c2e48524084b343a7de0fbfb2ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…