Acetonitrile → HCID 68910846, compound

HRID 1115729Notes

Reaction equation

HRID 1115729 reaction equation
[CH3:27][C:28]#[N:29].[CH:17]([CH2:18][CH2:19][CH3:20])=[C:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[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:24]1[CH2:23][CH2:22][C:21](=[CH:17][CH2:18][CH2:19][CH3:20])[CH2:26][CH2:25]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 149666594-ButylidenepiperidineHCID 689106274-(3-Iodo-2-methylpropyl)-1,4-benzothiazin-3-one

Product 1

HCID 68910846HCID 68910846, compound

Sources & evidence

ORD record
ord-10a39cf9298d47e68941492eb7ab8a8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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