Acetic Acid → HCID 11703679, compound
Reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:49](=[O:50])([OH:51])[O-:52].[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Na+:14].[Na+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[nH:15]1[cH:16][cH:17][c:18]2[cH:19][c:20](-[c:24]3[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]3)[cH:21][cH:22][c:23]12>>[nH:15]1[cH:16][cH:17][c:18]2[cH:19][c:20](-[c:24]3[cH:25][c:26]([CH2:27][N:39]([CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[cH:29][cH:30][cH:31]3)[cH:21][cH:22][c:23]12Participants
9
Sources & evidence
- ORD record
- ord-ba9fb0b8e180494390883b4d77213b4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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