8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid → HCID 86753473, compound
Reaction equation
[F:1][c:2]1[c:3]([F:20])[c:4]2[c:5]3[n:6]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]3[cH:15]1)[CH:7]([CH3:10])[CH2:8][O:9]2.[OH:21][C:22]([CH2:23][CH2:24][NH2:25])([P:26](=[O:27])([O:28][O:29][CH3:30])[O:31][O:32][CH3:33])[P:34](=[O:35])([O:36][O:37][CH3:38])[O:39][O:40][CH3:41]>>[F:1][c:2]1[c:3]([NH:25][CH2:24][CH2:23][C:22]([OH:21])([P:26](=[O:27])([O:28][O:29][CH3:30])[O:31][O:32][CH3:33])[P:34](=[O:35])([O:36][O:37][CH3:38])[O:39][O:40][CH3:41])[c:4]2[c:5]3[n:6]([cH:11][c:12]([C:17](=[O:18])[OH:19])[c:13](=[O:16])[c:14]3[cH:15]1)[CH:7]([CH3:10])[CH2:8][O:9]2Participants
3
Sources & evidence
- ORD record
- ord-259795c9647646f3bb605ab0d97c70c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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