2-Methoxynicotinic acid → (+/-)4-Methoxy-pyridine-2-carboxylic acid (10-ethyl-4-oxo-2-pyrimidin-4-yl-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepin-10-yl)-amide

HRID 1548816Notes

Reaction equation

HRID 1548816 reaction equation
[CH3:22][O:23][c:24]1[cH:25][c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]1.[CH3:33][O:34][c:35]1[n:36][cH:37][cH:38][cH:39][c:40]1[C:41]([OH:42])=[O:43].[NH2:1][C:2]1([CH2:20][CH3:21])[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1>>[NH:1]([C:2]1([CH2:20][CH3:21])[c:3]2[n:4]([c:9](=[O:19])[cH:10][c:11](-[c:13]3[n:14][cH:15][n:16][cH:17][cH:18]3)[n:12]2)[CH2:5][CH2:6][CH2:7][CH2:8]1)[C:30]([c:26]1[cH:25][c:24]([O:23][CH3:22])[cH:29][cH:28][n:27]1)=[O:31]

Participants

4

Reactant 3

HCID 7080932-Methoxynicotinic acidHCID 20500994-Methoxypyridine-2-carboxylic acidHCID 69022393(+/-) 10-amino-1 0-ethyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one

Product 1

HCID 86636838(+/-)4-Methoxy-pyridine-2-carboxylic acid (10-ethyl-4-oxo-2-pyrimidin-4-yl-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepin-10-yl)-amide

Sources & evidence

ORD record
ord-bf2bdb11e3bb4fd289ca355e591ceb86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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