Acetonitrile → HCID 11568879, compound

HRID 301108Notes

Reaction equation

HRID 301108 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][CH:30]([NH2:33])[CH2:31][CH2:32]1.[CH3:34][C:35]#[N:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:33][CH:30]2[CH2:29][CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 12682914-Amino-1-Boc-piperidineHCID 672426272-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11568879HCID 11568879, compound

Sources & evidence

ORD record
ord-4a965d2244e44329a51ed0fc9e39fd9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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