Acetonitrile → HCID 11661889, compound

HRID 1150014Notes

Reaction equation

HRID 1150014 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].[CH3:32][C:33]#[N:34].[O:20]1[CH:21]([CH2:30][NH2:31])[CH2:22][O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>>[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:31][CH2:30][CH:21]2[O:20][c:25]3[c:24]([cH:29][cH:28][cH:27][cH:26]3)[O:23][CH2:22]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 150532-Aminomethyl-1,4-benzodioxaneHCID 672426272-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11661889HCID 11661889, compound

Sources & evidence

ORD record
ord-7ef00c4e16b14ae9980a53e2a4a9bb0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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