Acetic Acid → HCID 178515377, compound
Reaction equation
[CH3:13][C:14](=[O:15])[OH:16].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cl:17][c:18]1[cH:19][n:20][c:21]([N:24]2[CH2:25][CH2:26][CH:27]([CH:30]3[CH:31]([CH2:33][CH:34]=[O:35])[CH2:32]3)[CH2:28][CH2:29]2)[n:22][cH:23]1.[NH2:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([F:11])[cH:10]1)[NH:7][C:6](=[O:12])[CH2:5]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:8]([c:9]([F:11])[cH:10]1)[NH:7][C:6](=[O:12])[CH2:5]2)[CH2:34][CH2:33][CH:31]1[CH:30]([CH:27]2[CH2:26][CH2:25][N:24]([c:21]3[n:20][cH:19][c:18]([Cl:17])[cH:23][n:22]3)[CH2:29][CH2:28]2)[CH2:32]1Participants
5
Sources & evidence
- ORD record
- ord-f7a041909c7f4a5ba4a40620cef76030
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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