Ethanol → 3-[5-(1-Amino-1-methyl-ethyl)-pyridin-2-ylamino]-5-bromo-1-methyl-1H-pyridin-2-one

HRID 1563696Notes

Reaction equation

[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([C:17]([CH3:18])([CH3:19])[NH:20][C:21](=[O:22])[CH2:23][Cl:24])[cH:15][n:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1.[C:32](=[O:33])([OH:34])[O-:35].[CH3:29][CH2:30][OH:31].[NH2:25][C:26](=[S:27])[NH2:28].[Na+:36].[OH2:37]>>[Br:1][c:2]1[cH:3][c:4]([NH:10][c:11]2[cH:12][cH:13][c:14]([C:17]([CH3:18])([CH3:19])[NH2:20])[cH:15][n:16]2)[c:5](=[O:9])[n:6]([CH3:8])[cH:7]1

Participants

Reactant 6

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 2723790Thiourea

HCID 59473779N-{1-[6-(5-Bromo-1-methyl-2-oxo-1,2-dihydro-pyridin-3-ylamino)-pyridin-3-yl]-1-methyl-ethyl}-2-chloro-acetamide

Product 1

HCID 594738243-[5-(1-Amino-1-methyl-ethyl)-pyridin-2-ylamino]-5-bromo-1-methyl-1H-pyridin-2-one

Sources & evidence

ORD record: ord-b5628925e5824c4d924f54e83b353c8c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…