Citric Acid → HCID 178436453, compound
Reaction equation
[CH2:16]([CH3:17])[C:18]1=[CH:19][CH2:20][C:21]([CH3:22])([OH:24])[O:23]1.[CH3:25][c:26]1[cH:27][c:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:33]([OH:34])[c:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:40]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[Cl:9])[C:12]([F:13])([F:14])[F:15].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53].[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[O:24][C:21]1([CH3:22])[CH2:20][CH:19]=[C:18]([CH2:16][CH3:17])[O:23]1)[C:12]([F:13])([F:14])[F:15]Participants
7
Sources & evidence
- ORD record
- ord-d52f6b866e39498aaf849d97b3692756
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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