Acetate → HCID 178497226, compound
Reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:48][C:49](=[O:50])[O-:51].[CH3:52][OH:53].[CH:12]1([c:18]2[c:19]3[cH:20][cH:21][c:22]([C:39](=[O:40])[O:41][CH3:42])[cH:23][c:24]3[n:25]3[c:32]2-[c:31]2[c:30]([cH:36][cH:35][cH:34][cH:33]2)[O:29][CH2:28][CH:27]([NH:37][CH3:38])[CH2:26]3)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[Na+:47].[O:1]=[CH:2][CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11]>>[CH2:2]([CH2:3][NH:4][C:5]([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:11])[N:37]([CH:27]1[CH2:26][n:25]2[c:24]3[c:19]([c:18]([CH:12]4[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]4)[c:32]2-[c:31]2[c:30]([cH:36][cH:35][cH:34][cH:33]2)[O:29][CH2:28]1)[cH:20][cH:21][c:22]([C:39](=[O:40])[O:41][CH3:42])[cH:23]3)[CH3:38]Participants
7
Sources & evidence
- ORD record
- ord-c3625637dbd442ebb354b0516ec192c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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