Acetonitrile → HCID 68721995, compound

HRID 1563833Notes

Reaction equation

HRID 1563833 reaction equation
[CH3:45][C:46]#[N:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[N:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44].[NH2:1][c:2]1[c:3]([O:11][c:12]2[c:13]([F:37])[c:14]([CH2:19][NH:20][C:21](=[O:22])[c:23]3[c:24]([Cl:36])[n:25][cH:26][n:27]3[CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:15][cH:16][c:17]2[Cl:18])[cH:4][c:5]([C:9]#[N:10])[c:6]([F:8])[cH:7]1>>[cH:2]1[c:3]([O:11][c:12]2[c:13]([F:37])[c:14]([CH2:19][NH:20][C:21](=[O:22])[c:23]3[c:24]([Cl:36])[n:25][cH:26][n:27]3[CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:15][cH:16][c:17]2[Cl:18])[cH:4][c:5]([C:9]#[N:10])[c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 10906Tert-Butyl nitriteHCID 68722215HCID 68722215, compound

Product 1

HCID 68721995HCID 68721995, compound

Sources & evidence

ORD record
ord-d21c5e88aacf4d0cb8f1a27c59aaff99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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