Acetonitrile → HCID 86679962, compound

HRID 2333928Notes

Reaction equation

HRID 2333928 reaction equation
[CH2:25]1[CH2:26][CH2:27][C:28]2=[N:33][CH2:32][CH2:31][CH2:30][N:29]2[CH2:34][CH2:35]1.[CH3:36][C:37]#[N:38].[CH:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[N:23][OH:24].[O:1]=[C:2]1[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]=[CH:8]1>>[O:1]=[C:2]1[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]([O:24][N:23]=[CH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:8]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 12143(Z)-Benzaldehyde oximeHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 75464896tert-Butyl 3-oxo-2,3,6,7-tetrahydro-1H-azepine-1-carboxylate

Product 1

HCID 86679962HCID 86679962, compound

Sources & evidence

ORD record
ord-0c8e1ec418e04aa58d0b7234a21f9506
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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