Acetonitrile → HCID 57646773, compound

HRID 1552862Notes

Reaction equation

HRID 1552862 reaction equation
[Br:26][N:27]1[C:28](=[O:29])[CH2:30][CH2:31][C:32]1=[O:33].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]3[cH:18][c:19]([Cl:25])[n:20][cH:21][c:22]3[cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH3:46][C:47]#[N:48].[N:34]#[C:35][C:36]([N:37]=[N:38][C:39]([C:40]#[N:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[c:16]([Br:26])[c:17]3[cH:18][c:19]([Cl:25])[n:20][cH:21][c:22]3[cH:23][cH:24]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6547AzobisisobutyronitrileHCID 67184N-bromobutanimideHCID 86629110HCID 86629110, compound

Product 1

HCID 57646773HCID 57646773, compound

Sources & evidence

ORD record
ord-000d881bd2344e6d9a02970f5e7b31ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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