Acetonitrile → HCID 16040146, compound

HRID 96810Notes

Reaction equation

HRID 96810 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:39][C:40]#[N:41].[Cs+:5].[Cs+:6].[N:27]1([C:31](=[O:32])[c:33]2[cH:34][n:35][c:36]([Cl:38])[s:37]2)[CH2:28][CH2:29][CH2:30]1.[OH:7][c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH3:25])[CH3:26])[cH:22]1>>[O:7]([c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[n:15][n:16]([CH3:19])[cH:17][cH:18]2)[cH:20][c:21]([O:23][CH:24]([CH3:25])[CH3:26])[cH:22]1)[c:36]1[n:35][cH:34][c:33]([C:31]([N:27]2[CH2:28][CH2:29][CH2:30]2)=[O:32])[s:37]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 53629630Azetidin-1-yl(2-chlorothiazol-5-yl)methanoneHCID 591271833-hydroxy-5-isopropoxy-N-(1-methyl-1H-pyrazol-3-yl)benzamide

Product 1

HCID 16040146HCID 16040146, compound

Sources & evidence

ORD record
ord-6187f23ece6b499fa7d8fbc9d83af8c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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