Acetic Acid → Benzyl 4-[5-ethoxy-4-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-5-oxopentyl]piperidine-1-carboxylate
Reaction equation
[C:52]([BH3-:53])#[N:54].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][C:34](=[O:35])[N:36]1[CH2:37][CH2:38][CH:39]([CH2:42][CH2:43][CH2:44][C:45]([C:46](=[O:47])[O:48][CH2:49][CH3:50])=[O:51])[CH2:40][CH2:41]1.[CH3:22][C:23](=[O:24])[OH:25].[CH3:56][CH2:57][OH:58].[NH2:1][CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9].[Na+:55]>>[NH:1]([CH:2]1[CH2:3][S:4][c:5]2[c:6]([cH:18][cH:19][cH:20][cH:21]2)[N:7]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:8]1=[O:9])[CH:45]([CH2:44][CH2:43][CH2:42][CH:39]1[CH2:38][CH2:37][N:36]([C:34]([O:33][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:35])[CH2:41][CH2:40]1)[C:46](=[O:47])[O:48][CH2:49][CH3:50]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f2c1bcb676b043158aee362d2fc60cac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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