Methanol → 1-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

HRID 693982Notes

Reaction equation

HRID 693982 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:1][NH2:2].[CH3:3][O:4][C:5](=[O:6])[c:7]1[n:8][c:9]([CH:12]([CH2:13][CH:14]([CH:15]([CH3:16])[CH3:17])[N:18]([C:19]([CH:20]([CH:21]([CH2:22][CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[CH:28]2[N:29]([CH3:34])[CH2:30][CH2:31][CH2:32][CH2:33]2)=[O:35])[CH3:36])[OH:37])[s:10][cH:11]1.[CH3:43][OH:44]>>[CH3:1][NH:2][C:5](=[O:6])[c:7]1[n:8][c:9]([CH:12]([CH2:13][CH:14]([CH:15]([CH3:16])[CH3:17])[N:18]([C:19]([CH:20]([CH:21]([CH2:22][CH3:23])[CH3:24])[NH:25][C:26](=[O:27])[CH:28]2[N:29]([CH3:34])[CH2:30][CH2:31][CH2:32][CH2:33]2)=[O:35])[CH3:36])[OH:37])[s:10][cH:11]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6329MethylamineHCID 8028TetrahydrofuranHCID 595159712-[1-Hydroxy-4-methyl-3-(methyl-{3-methyl-2-[(1-methyl-piperidine-2-carbonyl)-amino]-pentanoyl}-amino)-pentyl]-thiazole-4-carboxylic acid methyl ester

Product 1

HCID 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

Sources & evidence

ORD record
ord-249448ea387b4ebabbe47b10bb7f4d96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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