Sodium ion → Tert-butyl 4-(4-(1-cyanocyclobutylamino)phenyl)piperazine-1-carboxylate

HRID 699714Notes

Reaction equation

HRID 699714 reaction equation
[C:27]1(=[O:31])[CH2:28][CH2:29][CH2:30]1.[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]2)[CH2:18][CH2:19]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[N:6].[Cl:39][CH2:40][Cl:41].[Na+:32].[Na+:33].[O-:34][S:35](=[O:36])(=[O:37])[O-:38]>>[C:5](#[N:6])[C:27]1([NH:26][c:23]2[cH:22][cH:21][c:20]([N:17]3[CH2:16][CH2:15][N:14]([C:12]([O:11][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:13])[CH2:19][CH2:18]3)[cH:25][cH:24]2)[CH2:28][CH2:29][CH2:30]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 14496CyclobutanoneHCID 82115Trimethylsilyl cyanideHCID 11011301tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate

Product 1

HCID 67132054Tert-butyl 4-(4-(1-cyanocyclobutylamino)phenyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-575e04781ff7493fba1e9f891ffb9132
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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