Acetonitrile → HCID 178426180, compound

HRID 181788Notes

Reaction equation

HRID 181788 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:25][CH:26]1[NH:27][CH2:28][CH:29]=[CH:30]1.[CH3:44][C:45]#[N:46].[Cs+:42].[Cs+:43].[O:1]=[c:2]1[cH:3][cH:4][cH:5][n:6][n:7]1-[c:8]1[cH:9][c:10]2[cH:11][cH:12][c:13]([CH2:18][CH2:19][O:20][S:21]([CH3:22])(=[O:23])=[O:24])[cH:14][c:15]2[cH:16][cH:17]1.[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[O:1]=[c:2]1[cH:3][cH:4][cH:5][n:6][n:7]1-[c:8]1[cH:9][c:10]2[cH:11][cH:12][c:13]([CH2:18][CH2:19][N:27]3[CH:26]([CH3:25])[CH:30]=[CH:29][CH2:28]3)[cH:14][c:15]2[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 21492268HCID 21492268, compoundHCID 85969202HCID 85969202, compound

Product 1

HCID 178426180HCID 178426180, compound

Sources & evidence

ORD record
ord-7e38ee31adf7456e987cadd684b965b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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