Acetic Acid → HCID 178517214, compound
Reaction equation
[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[NH:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])[cH:54][cH:55]1.[CH3:56][C:57](=[O:58])[OH:59].[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19].[I:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[O:12]>>[I:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2=[N:46][NH:45][C:43]([c:42]1[cH:41][cH:40][c:39]([O:38][CH:27]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:55][cH:54]1)=[O:44]Participants
5
Sources & evidence
- ORD record
- ord-9dc0e5deb355489c8d067cb9e76542b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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