Acetonitrile → HCID 59251421, compound

HRID 2311455Notes

Reaction equation

HRID 2311455 reaction equation
[Br:36][N:37]1[C:38](=[O:39])[CH2:40][CH2:41][C:42]1=[O:43].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14](-[n:17]3[c:18](-[c:26]4[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]4)[n:19][c:20]([C:22]([CH3:23])([CH3:24])[OH:25])[cH:21]3)[cH:15][cH:16]2)[cH:8][cH:9][cH:10]1.[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:11]2[cH:12][cH:13][c:14](-[n:17]3[c:18](-[c:26]4[c:27]([C:32]([F:33])([F:34])[F:35])[cH:28][cH:29][cH:30][cH:31]4)[n:19][c:20]([C:22]([CH3:23])([CH3:24])[OH:25])[c:21]3[Br:36])[cH:15][cH:16]2)[cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 59251380HCID 59251380, compound

Product 1

HCID 59251421HCID 59251421, compound

Sources & evidence

ORD record
ord-a95e2768d4714048aabebcc4f5cee013
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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