Acetonitrile → HCID 135961994, compound

HRID 168689Notes

Reaction equation

HRID 168689 reaction equation
[Br:33][N:34]1[C:35](=[O:36])[CH2:37][CH2:38][C:39]1=[O:40].[CH3:1][O:2][c:3]1[c:4](-[c:27]2[n:28][o:29][c:30](=[O:32])[nH:31]2)[cH:5][cH:6][c:7]([O:9][CH2:10][c:11]2[c:12]([CH3:26])[n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[s:15]2)[cH:8]1.[CH3:41][C:42]#[N:43]>>[CH3:1][O:2][c:3]1[c:4](-[c:27]2[n:28][o:29][c:30](=[O:32])[nH:31]2)[cH:5][c:6]([Br:33])[c:7]([O:9][CH2:10][c:11]2[c:12]([CH3:26])[n:13][c:14](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[s:15]2)[cH:8]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 135870790HCID 135870790, compound

Product 1

HCID 135961994HCID 135961994, compound

Sources & evidence

ORD record
ord-4ca49ad914014f1ab995044924bba4f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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