Acetonitrile → HCID 60141761, compound

HRID 2160833Notes

Reaction equation

HRID 2160833 reaction equation
[CH3:39][C:40]#[N:41].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:15])[OH:16])[c:4]([F:8])[cH:5][cH:6][cH:7]1.[Cl:42][CH2:43][Cl:44].[Cs+:34].[F-:33].[I:35][CH:36]([CH3:37])[CH3:38]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][o:11][c:12](-[c:17]3[cH:18][n:19][n:20](-[c:26]4[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]4)[c:21]3[C:22]([F:23])([F:24])[F:25])[c:13]2[C:14](=[O:15])[O:16][CH:36]([CH3:37])[CH3:38])[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6362Isopropyl iodideHCID 28179Fluoride IonHCID 104967Cesium cationHCID 86668508HCID 86668508, compound

Product 1

HCID 60141761HCID 60141761, compound

Sources & evidence

ORD record
ord-895209cc3bd34524b5056322cedf27b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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