Ethanol → N'-(2-((4-Fluoro-2-(5-methyl-1H-1,2,3-triazol-1-yl)benzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide

HRID 2138018Notes

Reaction equation

HRID 2138018 reaction equation
[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[NH:7][C:8]12[c:9]3[n:10]([c:17](=[O:27])[c:18]([OH:26])[c:19]([C:21]([O:23][CH2:22][CH3:24])=[O:25])[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)=[O:28].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][CH2:52][OH:53].[F:29][c:30]1[cH:31][c:32](-[n:38]2[n:39][n:40][cH:41][c:42]2[CH3:43])[c:33]([CH2:36][NH2:37])[cH:34][cH:35]1>>[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[NH:7][C:8]12[c:9]3[n:10]([c:17](=[O:27])[c:18]([OH:26])[c:19]([C:21](=[O:23])[NH:37][CH2:36][c:33]4[c:32](-[n:38]5[n:39][n:40][cH:41][c:42]5[CH3:43])[cH:31][c:30]([F:29])[cH:35][cH:34]4)[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)=[O:28]

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 21069905HCID 21069905, compoundHCID 57904884Ethyl 10-(((dimethylamino)(oxo)acetyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

Product 1

HCID 57905230N'-(2-((4-Fluoro-2-(5-methyl-1H-1,2,3-triazol-1-yl)benzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N-dimethylethanediamide

Sources & evidence

ORD record
ord-f2121a3b516d43bab5fade76edd1dacd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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