Acetonitrile → HCID 87137025, compound

HRID 1204120Notes

Reaction equation

HRID 1204120 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19]([c:20]1[cH:21][cH:22][c:23]([O:26][CH:27]2[CH2:28][CH2:29][CH:30]([NH2:33])[CH2:31][CH2:32]2)[cH:24][cH:25]1)=[O:34].[CH3:35][C:36]#[N:37].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11])[NH:33][CH:30]1[CH2:29][CH2:28][CH:27]([O:26][c:23]2[cH:22][cH:21][c:20]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:34])[cH:25][cH:24]2)[CH2:32][CH2:31]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 667566814-(4-Aminocyclohexyloxy)-benzoic acid tert-butyl esterHCID 714395991-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

Product 1

HCID 87137025HCID 87137025, compound

Sources & evidence

ORD record
ord-f32bd0fef4db4bfa97d52cae84c54feb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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