Acetate → HCID 70126829, compound
Reaction equation
[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][CH:12]=[O:13])[CH2:14][CH:15]=[CH:16][c:17]1[n:18][c:19]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27]2)[cH:20][cH:21][cH:22]1)=[O:28].[CH:63]([OH:64])([CH3:65])[CH3:66].[NH2:40][CH:41]([CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:50]1[cH:51][n:52][c:53]([O:56][CH3:57])[cH:54][cH:55]1.[Na+:62].[OH:29][S:30]([c:31]1[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]1)(=[O:38])=[O:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][CH2:12][NH:40][CH:41]([CH2:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[c:50]1[cH:51][n:52][c:53]([O:56][CH3:57])[cH:54][cH:55]1)[CH2:14][CH:15]=[CH:16][c:17]1[n:18][c:19]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27]2)[cH:20][cH:21][cH:22]1)=[O:28]Participants
7
Sources & evidence
- ORD record
- ord-46a0c40db8064ee0bb66f001ba52dcce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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