Acetonitrile → HCID 178495508, compound

HRID 305540Notes

Reaction equation

HRID 305540 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:42][C:43]#[N:44].[Cs+:5].[Cs+:6].[N:30]1([C:34](=[O:35])[c:36]2[cH:37][n:38][c:39]([Cl:41])[s:40]2)[CH2:31][CH2:32][CH2:33]1.[OH:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][cH:16][c:17]([CH3:20])[n:18][cH:19]2)[cH:21][c:22]([O:24][CH:25]([CH2:26][O:27][CH3:28])[CH3:29])[cH:23]1>>[O:7]([c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][cH:16][c:17]([CH3:20])[n:18][cH:19]2)[cH:21][c:22]([O:24][CH:25]([CH2:26][O:27][CH3:28])[CH3:29])[cH:23]1)[c:39]1[n:38][cH:37][c:36]([C:34]([N:30]2[CH2:31][CH2:32][CH2:33]2)=[O:35])[s:40]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 53629630Azetidin-1-yl(2-chlorothiazol-5-yl)methanoneHCID 674871463-hydroxy-5-(1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)benzamide

Product 1

HCID 178495508HCID 178495508, compound

Sources & evidence

ORD record
ord-f4767b8959b34263bf9ae14aad46c867
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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