Hydrochloric Acid → Ethyl 10-(((dimethylamino)(oxo)acetyl)amino)-4-oxo-3-((phenylcarbonyl)oxy)-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

HRID 1547958Notes

Reaction equation

HRID 1547958 reaction equation
[CH3:31][N:32]([C:33]([C:34](=[O:35])[OH:36])=[O:37])[CH3:38].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[ClH:1].[NH2:2][C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48]>>[NH:2]([C:3]12[c:4]3[n:5]([c:12](=[O:30])[c:13]([O:21][C:22](=[O:23])[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:15]3)[CH2:6][CH:7]([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[C:34]([C:33]([N:32]([CH3:31])[CH3:38])=[O:37])=[O:35]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 2760995N,N-Dimethyloxamic acidHCID 57904834Ethyl 1-amino-5-benzoyloxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylate

Product 1

HCID 66588776Ethyl 10-(((dimethylamino)(oxo)acetyl)amino)-4-oxo-3-((phenylcarbonyl)oxy)-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

Sources & evidence

ORD record
ord-64508664605a4b31995f422498aae0b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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