Acetonitrile → HCID 11605944, compound

HRID 1570989Notes

Reaction equation

HRID 1570989 reaction equation
[CH2:1]([CH2:2][CH2:3][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].[CH3:38][C:39]#[N:40].[NH2:20][c:21]1[cH:22][c:23]2[c:28]([cH:29][cH:30]1)[CH2:27][N:26]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:25][CH2:24]2>>[CH2:1]([CH2:2][CH2:3][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:20][c:21]2[cH:22][c:23]3[c:28]([cH:29][cH:30]2)[CH2:27][N:26]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:25][CH2:24]3)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 27563716-Amino-2-N-Boc-1,2,3,4-tetrahydro-isoquinolineHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11605944HCID 11605944, compound

Sources & evidence

ORD record
ord-41ad04d253ed4e66ba2babb4f39825ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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