Acetonitrile → HCID 86653109, compound

HRID 1113589Notes

Reaction equation

HRID 1113589 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:31][C:32]#[N:33].[Cl:22][c:23]1[s:24][c:25]([Cl:30])[c:26]([CH2:28][Cl:29])[n:27]1.[Cs+:20].[Cs+:21].[OH:1][N:2]=[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[n:11][n:12][n:13][n:14]1[CH3:15]>>[O:1]([N:2]=[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[n:11][n:12][n:13][n:14]1[CH3:15])[CH2:28][c:26]1[c:25]([Cl:30])[s:24][c:23]([Cl:22])[n:27]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 14338691HCID 14338691, compoundHCID 135990939N-hydroxy-1-(1-methyl-1H-tetrazol-5-yl)-1-phenylmethanimine

Product 1

HCID 86653109HCID 86653109, compound

Sources & evidence

ORD record
ord-595e4c0828414b19802b6a811c407c4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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