Acetone → HCID 54120428, compound

HRID 2148479Notes

Reaction equation

HRID 2148479 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([S:22]([NH2:23])(=[O:24])=[O:25])[c:14]1[O:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH2:38]([N:39]([CH2:40][CH3:41])[CH2:42][CH3:43])[CH3:44].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:26][CH2:27][C:28]#[N:29].[ClH:37]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[O:11][CH2:27][C:28]#[N:29])[cH:12][c:13]([S:22]([NH2:23])(=[O:24])=[O:25])[c:14]1[O:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 7856ChloroacetonitrileHCID 8471Triethylamine2×HCID 54574929HCID 54574929, compound

Product 1

HCID 54120428HCID 54120428, compound

Sources & evidence

ORD record
ord-8c49ac56fece41eab3ce64f04f40cc3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…