Ethanol → Ethyl 3-(benzyloxy)-4-oxo-6,7,8,9-tetrahydro-4H-7,10-ethanopyrimido[1,2-a][1,3]diazepine-2-carboxylate

HRID 294447Notes

Reaction equation

HRID 294447 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:11][c:12]([N:20]2[CH2:21][CH2:22][CH:23]([CH2:26][O:27][S:28]([CH3:29])(=[O:30])=[O:31])[CH2:24][CH2:25]2)[n:13]([S:16]([CH3:17])(=[O:18])=[O:19])[c:14]1=[O:15].[CH3:44][CH2:45][OH:46].[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[OH2:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:11][c:12]2[n:13]([c:14]1=[O:15])[CH2:26][CH:23]1[CH2:22][CH2:21][N:20]2[CH2:25][CH2:24]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 57904840Ethyl 5-(benzyloxy)-1-(methylsulfonyl)-2-(4-((methylsulfonyloxy)methyl)piperidin-1-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate

Product 1

HCID 57904901Ethyl 3-(benzyloxy)-4-oxo-6,7,8,9-tetrahydro-4H-7,10-ethanopyrimido[1,2-a][1,3]diazepine-2-carboxylate

Sources & evidence

ORD record
ord-2c8fa10810ec4794a6878e51a131d4dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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