Acetic Acid → Balicatib
Reaction equation
[C:45](#[N:46])[CH2:47][NH:48][C:49](=[O:50])[C:51]1([NH2:57])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[CH2:1]([CH2:2][CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18]2)[CH2:8][CH2:9]1.[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:58][C:59]#[N:60].[CH3:61][C:62](=[O:63])[OH:64].[CH:36]([N:37]=[C:38]=[N:39][CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[CH2:1]([CH2:2][CH3:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([C:14](=[O:16])[NH:57][C:51]3([C:49]([NH:48][CH2:47][C:45]#[N:46])=[O:50])[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]3)[cH:17][cH:18]2)[CH2:8][CH2:9]1Participants
8
Sources & evidence
- ORD record
- ord-03cfa46a74d147c0ab0362bc55448162
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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