Pyridine → [8-Methyl-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

HRID 1212210Notes

Reaction equation

HRID 1212210 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:31][cH:32][c:33]([CH3:35])[cH:34]3)[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C:13](=[O:16])[CH:14]2[OH:15])[cH:6][cH:7]1.[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[S:9][c:10]3[c:11]([cH:31][cH:32][c:33]([CH3:35])[cH:34]3)[N:12]([CH2:17][CH2:18][N:19]([CH3:20])[C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C:13](=[O:16])[CH:14]2[O:15][C:37]([CH3:36])=[O:38])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 1049PyridineHCID 7918Acetic AnhydrideHCID 23318060benzyl N-[2-[3-hydroxy-8-methyl-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate

Product 1

HCID 23318077[8-Methyl-2-(4-methylphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

Sources & evidence

ORD record
ord-5b9dd4f910fa4acb911e68ee31f0b8a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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