Acetonitrile → HCID 59560283, compound

HRID 2324110Notes

Reaction equation

HRID 2324110 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:33][C:34]#[N:35].[CH3:7][n:8]1[n:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[cH:17][c:18]3[c:19]([c:25]([OH:27])[cH:26]2)[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]3)[cH:11][cH:12]1.[Cl:28][CH2:29][CH:30]1[CH2:31][CH2:32]1.[Cs+:5].[Cs+:6]>>[CH3:7][n:8]1[n:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[cH:17][c:18]3[c:19]([c:25]([O:27][CH2:29][CH:30]4[CH2:31][CH2:32]4)[cH:26]2)[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]3)[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 80013(Chloromethyl)cyclopropaneHCID 104967Cesium cation2×HCID 595600842,3-Dihydro-4-hydroxy-2,2-dimethyl-N-(1-methyl-1H-pyrazol-3-yl)-6-benzofurancarboxamide

Product 1

HCID 59560283HCID 59560283, compound

Sources & evidence

ORD record
ord-75c58ef946c44a4bab76dbd071d3a28c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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