HCID 86626578, compound → HCID 178498175, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH2:10][NH:11][C:12]1([c:15]2[n:16][cH:17][cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]2)[CH2:13][CH2:14]1)[OH:25])[CH2:26][c:27]1[cH:28][c:29]([OH:33])[cH:30][cH:31][cH:32]1)=[O:34].[CH3:35][O:36][C:37]([c:38]1[cH:39][c:40]([O:45][CH2:46][CH2:47][CH2:48][CH2:49][O:50][S:51]([CH3:52])(=[O:53])=[O:54])[n:41][c:42]([CH3:44])[cH:43]1)=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH:9]([CH2:10][NH:11][C:12]1([c:15]2[n:16][cH:17][cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]2)[CH2:13][CH2:14]1)[OH:25])[CH2:26][c:27]1[cH:28][c:29]([O:33][CH2:49][CH2:48][CH2:47][CH2:46][O:45][c:40]2[cH:39][c:38]([C:37]([O:36][CH3:35])=[O:55])[cH:43][c:42]([CH3:44])[n:41]2)[cH:30][cH:31][cH:32]1)=[O:34]Participants
3
Sources & evidence
- ORD record
- ord-91424625436a4894ac1d85443adca325
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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