Acetonitrile → HCID 67335796, compound

HRID 187385Notes

Reaction equation

HRID 187385 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:29][C:30]#[N:31].[Cl:19][c:20]1[s:21][c:22]2[c:23]([n:24]1)[cH:25][cH:26][cH:27][cH:28]2.[Cs+:5].[Cs+:6].[OH:7][c:8]1[c:9]([CH3:18])[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17]1>>[O:7]([c:8]1[c:9]([CH3:18])[c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16][cH:17]1)[c:20]1[s:21][c:22]2[c:23]([n:24]1)[cH:25][cH:26][cH:27][cH:28]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 119872-ChlorobenzothiazoleHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 12488879Methyl 3-hydroxy-2-methylbenzoate

Product 1

HCID 67335796HCID 67335796, compound

Sources & evidence

ORD record
ord-cf67ceaf6f734327af2a245ade5bcceb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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