Acetic Acid → HCID 178472627, compound
Reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:12]([c:13]2[cH:14][c:15]([CH:19]([c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[N:27]3[CH:28]([CH3:34])[CH2:29][NH:30][CH:31]([CH3:33])[CH2:32]3)[cH:16][cH:17][cH:18]2)=[O:35])[CH2:10][CH2:11]1)=[O:36].[CH3:46][C:47](=[O:48])[OH:49].[F:37][c:38]1[cH:39][c:40]([CH:41]=[O:42])[cH:43][cH:44][cH:45]1.[Na+:63].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:12]([c:13]2[cH:14][c:15]([CH:19]([c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[N:27]3[CH:28]([CH3:34])[CH2:29][N:30]([CH2:41][c:40]4[cH:39][c:38]([F:37])[cH:45][cH:44][cH:43]4)[CH:31]([CH3:33])[CH2:32]3)[cH:16][cH:17][cH:18]2)=[O:35])[CH2:10][CH2:11]1)=[O:36]Participants
7
Sources & evidence
- ORD record
- ord-a61d009bbaad49d0a2c6204f08a6664f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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