Acetonitrile → HCID 67205673, compound

HRID 678662Notes

Reaction equation

HRID 678662 reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH:29]2[CH2:30][NH:31][CH:32]([CH2:33]1)[CH2:34]2.[CH3:44][C:45]#[N:46].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43]>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20]1)[N:31]1[CH2:30][CH:29]2[N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH:32]1[CH2:34]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 59989022HCID 59989022, compound

Product 1

HCID 67205673HCID 67205673, compound

Sources & evidence

ORD record
ord-0473e98e0de1435da164fd8936870ae4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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