Acetonitrile → HCID 178433413, compound

HRID 112995Notes

Reaction equation

HRID 112995 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:42][C:43]#[N:44].[Cs+:5].[Cs+:6].[N:29]1([C:33](=[O:34])[c:35]2[c:36]([CH3:41])[n:37][c:38]([Br:40])[s:39]2)[CH2:30][CH2:31][CH2:32]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]2[CH2:25][O:26][CH2:27][CH2:28]2)[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]2[CH2:25][O:26][CH2:27][CH2:28]2)[cH:22]1)[c:38]1[n:37][c:36]([CH3:41])[c:35]([C:33]([N:29]2[CH2:30][CH2:31][CH2:32]2)=[O:34])[s:39]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 536296655-(Azetidin-1-ylcarbonyl)-2-bromo-4-methyl-1,3-thiazoleHCID 1784804703-hydroxy-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide

Product 1

HCID 178433413HCID 178433413, compound

Sources & evidence

ORD record
ord-a36a1e50b1064c2eab8ada013f7c2099
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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