Sodium Ion → (1-Cyano-spiro[2.5]oct-1-ylmethyl)-carbamic acid tert-butyl ester

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]1([C:17]([NH2:18])=[O:19])[CH2:10][C:11]12[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)=[O:20].[Cl:21][c:22]1[n:23][c:24]([Cl:25])[n:26][c:27]([Cl:28])[n:29]1.[Na+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH-:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][C:9]1([C:17]#[N:18])[CH2:10][C:11]12[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)=[O:20]

Participants

Reactant 5

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 6228Dimethylformamide

HCID 7954Cyanuric chloride

HCID 69515965(1-Carbamoyl-spiro[2.5]oct-1-ylmethyl)-carbamic acid tert-butyl ester

Product 1

HCID 69515964(1-Cyano-spiro[2.5]oct-1-ylmethyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record: ord-bb1285ab6a554027871a480796ebc2a1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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