Acetonitrile → HCID 86654435, compound

HRID 178620Notes

Reaction equation

HRID 178620 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([C:18](=[O:19])[OH:20])[c:7]2[c:8]([CH2:16][Br:17])[c:9]([Cl:15])[c:10]([Br:14])[cH:11][c:12]2[cH:13]1.[CH3:21][N+:22]1([O-:23])[CH2:24][CH2:26][O:25][CH2:27][CH2:28]1.[CH3:29][C:30]#[N:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6]([C:18](=[O:19])[OH:20])[c:7]2[c:8]([CH:16]=[O:25])[c:9]([Cl:15])[c:10]([Br:14])[cH:11][c:12]2[cH:13]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 82029Methyl morpholine oxideHCID 67255556HCID 67255556, compound

Product 1

HCID 86654435HCID 86654435, compound

Sources & evidence

ORD record
ord-bdaeb259fdf34f45bceef6f16ced3831
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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