Pyridine → Acetic acid 4-methyl-1-(4-methylcarbamoyl-thiazol-2-yl)-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl ester

HRID 2315291Notes

Reaction equation

HRID 2315291 reaction equation
[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[OH:1][CH:2]([CH2:3][CH:4]([CH:5]([CH3:6])[CH3:7])[N:8]([C:9](=[O:10])[CH:11]([CH:12]([CH2:13][CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[CH:19]1[N:20]([CH3:25])[CH2:21][CH2:22][CH2:23][CH2:24]1)[CH3:26])[c:27]1[s:28][cH:29][c:30]([C:32]([NH:33][CH3:34])=[O:35])[n:31]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[O:1]([CH:2]([CH2:3][CH:4]([CH:5]([CH3:6])[CH3:7])[N:8]([C:9](=[O:10])[CH:11]([CH:12]([CH2:13][CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[CH:19]1[N:20]([CH3:25])[CH2:21][CH2:22][CH2:23][CH2:24]1)[CH3:26])[c:27]1[s:28][cH:29][c:30]([C:32]([NH:33][CH3:34])=[O:35])[n:31]1)[C:37]([CH3:36])=[O:38]

Participants

4

Reactant 3

HCID 1049PyridineHCID 7918Acetic AnhydrideHCID 668396411-Methyl-piperidine-2-carboxylic acid [1-({1-[2-hydroxy-2-(4-methylcarbamoyl-thiazol-2-yl)-ethyl]-2-methyl-propyl}-methyl-carbamoyl)-2-methyl-butyl]-amide

Product 1

HCID 66839688Acetic acid 4-methyl-1-(4-methylcarbamoyl-thiazol-2-yl)-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl ester

Sources & evidence

ORD record
ord-e42c4f2199ee4690a5b40ea9dc7f754a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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