Acetic Acid → HCID 87949743, compound
Reaction equation
[CH2:47]([O:48][CH:49]([O:50][CH2:51][CH3:52])[O:53][CH2:54][CH3:55])[CH3:56].[CH3:43][C:44]([OH:45])=[O:46].[N-:40]=[N+:41]=[N-:42].[NH2:1][CH:2]1[CH:3]2[CH2:4][CH2:5][CH:6]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[C:7]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:8]1)[N:9]2[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[Na+:39]>>[NH:1]([CH:2]1[CH:3]2[CH2:4][CH2:5][CH:6]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[C:7]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:8]1)[N:9]2[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:44]([CH3:43])=[O:45]Participants
6
Sources & evidence
- ORD record
- ord-bf4d3454ad5a42b591099c46c287eae0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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