Acetonitrile → HCID 178480467, compound

HRID 696304Notes

Reaction equation

HRID 696304 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][C:43]#[N:44].[Cs+:40].[Cs+:41].[N:23]1([C:27](=[O:28])[c:29]2[n:30][cH:31][c:32]([Cl:35])[n:33][cH:34]2)[CH2:24][CH2:25][CH2:26]1.[OH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[n:9][n:10]([CH3:13])[cH:11][cH:12]2)[cH:14][c:15]([O:17][CH:18]2[CH2:19][O:20][CH2:21][CH2:22]2)[cH:16]1>>[O:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[n:9][n:10]([CH3:13])[cH:11][cH:12]2)[cH:14][c:15]([O:17][CH:18]2[CH2:19][O:20][CH2:21][CH2:22]2)[cH:16]1)[c:32]1[cH:31][n:30][c:29]([C:27]([N:23]2[CH2:24][CH2:25][CH2:26]2)=[O:28])[cH:34][n:33]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 46870328(Azetidin-1-yl)(5-chloropyrazin-2-yl)methanoneHCID 1784804703-hydroxy-N-(1-methylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide

Product 1

HCID 178480467HCID 178480467, compound

Sources & evidence

ORD record
ord-c4d37cd470ee4841ad844bd279c714c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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