Water → tert-butyl 1-[[1-(1-aminoethylideneamino)oxy-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

HRID 294580Notes

Reaction equation

HRID 294580 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([c:14](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:15][c:16]2[C:17](=[O:18])[NH:19][CH:20]([C:21](=[O:22])[OH:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:12][CH2:13]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[OH:55][N:56]=[C:57]([CH3:58])[NH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[n:11]([c:14](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:15][c:16]2[C:17](=[O:18])[NH:19][CH:20]([C:21]([O:22][N:56]=[C:57]([CH3:58])[NH2:59])=[O:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 30926N-HydroxyacetamidineHCID 757711-HydroxybenzotriazoleHCID 669319763,3-dimethyl-2-[[7-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]butanoic acid

Product 1

HCID 178465670tert-butyl 1-[[1-(1-aminoethylideneamino)oxy-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

Sources & evidence

ORD record
ord-1eb9a7f543be4b1f8a55a511522e325e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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