Acetate → HCID 178471244, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH:9]1[CH2:10][CH2:11][c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]21)[C:22]([CH:23]([NH2:24])[CH3:25])=[O:26])=[O:27].[CH3:29][C:30](=[O:31])[O-:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:52][CH2:53][OH:54].[Na+:28].[O:37]=[C:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]([CH:9]1[CH2:10][CH2:11][c:12]2[cH:13][c:14]([O:20][CH3:21])[c:15]([O:18][CH3:19])[cH:16][c:17]21)[C:22]([CH:23]([NH:24][CH:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[CH3:25])=[O:26])=[O:27]Participants
7
Sources & evidence
- ORD record
- ord-7b90880d8110408aa472d4c7878b7786
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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