Citric Acid → HCID 67211232, compound
Reaction equation
[CH2:43]1[CH2:44][CH2:45][C:46]2=[N:51][CH2:50][CH2:49][CH2:48][N:47]2[CH2:52][CH2:53]1.[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][c:10]3[c:11]([cH:25][cH:26]1)[C:12](=[CH:21][C:22](=[O:23])[OH:24])[c:13]1[c:14]([cH:17][cH:18][cH:19][cH:20]1)[CH2:15][CH2:16]3)[cH:27][c:28](-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[cH:29][c:30]2[CH3:31].[CH3:38][S:39](=[O:40])(=[O:41])[NH2:42].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH2:7][c:8]1[cH:9][c:10]3[c:11]([cH:25][cH:26]1)[C:12](=[CH:21][C:22](=[O:23])[NH:42][S:39]([CH3:38])(=[O:40])=[O:41])[c:13]1[c:14]([cH:17][cH:18][cH:19][cH:20]1)[CH2:15][CH2:16]3)[cH:27][c:28](-[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[cH:29][c:30]2[CH3:31]Participants
6
Sources & evidence
- ORD record
- ord-8489fea77ed64bc095d3476358c6210b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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