Acetonitrile → HCID 68911077, compound

HRID 111749Notes

Reaction equation

HRID 111749 reaction equation
[CH2:17]([CH2:18][CH2:19][CH3:20])[CH:21]1[CH2:22][CH:23]2[CH2:24][CH2:25][CH:26]([CH2:27]1)[NH:28]2.[CH3:29][C:30]#[N:31].[I:1][CH2:2][CH:3]([CH2:4][N:5]1[C:6](=[O:15])[CH2:7][S:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[CH3:16]>>[CH2:2]([CH:3]([CH2:4][N:5]1[C:6](=[O:15])[CH2:7][S:8][c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[CH3:16])[N:28]1[CH:23]2[CH2:22][CH:21]([CH2:17][CH2:18][CH2:19][CH3:20])[CH2:27][CH:26]1[CH2:25][CH2:24]2

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 689079663-Butyl-8-azabicyclo[3,2,1]octaneHCID 689106274-(3-Iodo-2-methylpropyl)-1,4-benzothiazin-3-one

Product 1

HCID 68911077HCID 68911077, compound

Sources & evidence

ORD record
ord-5423a4d98918404f94cd5026c751097a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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