Citric Acid → HCID 178515799, compound
Reaction equation
[CH3:41][S:42]([CH3:43])=[O:44].[F:1][c:2]1[c:3](-[n:8]2[n:9][n:10][c:11]3[c:12]2[n:13][c:14]([Cl:17])[cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1.[NH2:18][c:19]1[c:20]([F:21])[cH:22][cH:23][cH:24][cH:25]1.[Na+:27].[OH-:26].[OH2:45].[OH:28][C:29]([CH2:30][C:31]([C:32](=[O:33])[OH:34])([CH2:35][C:36](=[O:37])[OH:38])[OH:39])=[O:40]>>[F:1][c:2]1[c:3](-[n:8]2[n:9][n:10][c:11]3[c:12]2[n:13][c:14]([OH:28])[cH:15][cH:16]3)[cH:4][cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-2ac14bcfaf4c4ecf861c4441a5e414a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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