Methanol → N'-[8-ethyl-2-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-oxamide

HRID 89797Notes

Reaction equation

HRID 89797 reaction equation
[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([CH:8]1[c:9]2[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21]([O:23][CH3:22])=[O:24])[n:20]2)[CH2:11][CH2:12][N:13]([CH2:15][CH3:16])[CH2:14]1)[CH3:27])=[O:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:46][OH:47].[F:36][c:37]1[c:38]([CH3:45])[cH:39][c:40]([CH2:41][NH2:42])[cH:43][cH:44]1>>[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([CH:8]1[c:9]2[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21](=[O:23])[NH:42][CH2:41][c:40]3[cH:39][c:38]([CH3:45])[c:37]([F:36])[cH:44][cH:43]3)[n:20]2)[CH2:11][CH2:12][N:13]([CH2:15][CH3:16])[CH2:14]1)[CH3:27])=[O:28]

Participants

5

Reactant 4

HCID 887MethanolHCID 8471TriethylamineHCID 2774599(4-Fluoro-3-methylphenyl)methanamineHCID 67316012Methyl 10-[[(dimethylamino)(oxo)acetyl](methyl)amino]-8-ethyl-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydropyrimido[1,2-d][1,4]diazepine-2-carboxylate

Product 1

HCID 54684184N'-[8-ethyl-2-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepin-10-yl]-N,N,N'-trimethyl-oxamide

Sources & evidence

ORD record
ord-846c43a3e54b46fd98476a8fdfba5efb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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