Citric Acid → HCID 178433528, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][C:8]([CH3:29])([NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:9]2[n:10]1[c:11](=[O:28])[c:12]([O:16][CH2:17][c:18]1[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]1)[n:13][c:14]2[Cl:15].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:41][OH:42].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Li+:43].[OH-:44].[OH2:50].[OH:57][C:58]([CH2:59][C:60]([C:61](=[O:62])[OH:63])([CH2:64][C:65](=[O:66])[OH:67])[OH:68])=[O:69]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH2:7][C:8]([CH3:29])([NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:9]2[n:10]1[c:11](=[O:28])[c:12]([O:16][CH2:17][c:18]1[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]1)[n:13][c:14]2[Cl:15]Participants
9
Sources & evidence
- ORD record
- ord-3f59836697a14de88cb27b42b384b321
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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