Citric Acid → HCID 178504603, compound
Reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[Cl:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([S:31](=[O:32])[CH3:33])[cH:29][cH:30]1.[Cl:3][c:4]1[n:5][cH:6][cH:7][c:8](-[c:10]2[nH:11][c:12](=[S:22])[nH:13][c:14]2-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:9]1.[H-:2].[Na+:1].[OH2:52].[OH:34][C:35]([CH2:36][C:37]([C:38](=[O:39])[OH:40])([CH2:41][C:42](=[O:43])[OH:44])[OH:45])=[O:46]>>[Cl:3][c:4]1[n:5][cH:6][cH:7][c:8](-[c:10]2[nH:11][c:12]([S:22][CH2:24][c:25]3[cH:26][cH:27][c:28]([S:31](=[O:32])[CH3:33])[cH:29][cH:30]3)[n:13][c:14]2-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-94420cf8217a4c2e898a80399f286787
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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