Citric Acid → HCID 54672884, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][N:25]([C:26](=[N:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[NH:35][C:36]#[N:37])[CH2:38][CH3:39])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)=[O:40].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Li+:41].[OH-:42].[OH2:61].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[O:3]=[C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:14]2[c:15]([CH2:24][N:25]([C:26](=[N:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[NH:35][C:36]#[N:37])[CH2:38][CH3:39])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[c:9]([O:12][CH3:13])[cH:10][cH:11]1)[OH:40]Participants
8
Sources & evidence
- ORD record
- ord-ab6775041d4248648ff4f22b17c0ba0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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