Acetate → HCID 178446579, compound
Reaction equation
[CH3:49][C:50](=[O:51])[O-:52].[CH3:53][C:54]([O:55][C:56](=[O:57])[CH3:58])=[O:59].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[N:10]([CH2:12][c:13]1[cH:14][s:15][cH:16][cH:17]1)[C:9](=[O:18])[CH:8]([NH:19][C:20]([CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[NH:26][C:27]([C:28]([CH3:29])([CH3:30])[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])=[O:39])=[O:40])[CH2:7]2.[Na+:48].[O:41]=[C:42]1[CH2:43][CH2:44][C:45](=[O:46])[O:47]1.[OH2:60]>>[N:1]1([c:2]2[cH:3][cH:4][cH:5][c:6]3[c:11]2[N:10]([CH2:12][c:13]2[cH:14][s:15][cH:16][cH:17]2)[C:9](=[O:18])[CH:8]([NH:19][C:20]([CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[NH:26][C:27]([C:28]([CH3:29])([CH3:30])[NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])=[O:39])=[O:40])[CH2:7]3)[C:42](=[O:41])[CH2:43][CH2:44][C:45]1=[O:46]Participants
8
Sources & evidence
- ORD record
- ord-e403cc318f334859992022d441dd83d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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