Acetic Acid → HCID 57036282, compound

HRID 165210Notes

Reaction equation

HRID 165210 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:1]([CH3:2])[O:3][C:4]([N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([NH2:18])[cH:14][cH:15][cH:16][cH:17]1)=[O:19].[CH3:25][O:26][C:27]([CH:28]([C:29](=[O:30])[O:31][CH3:32])[NH:33][C:34]([CH:35]([CH3:36])[Cl:37])=[O:38])=[O:39].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:20].[K+:44].[K+:45].[N:21]([O-:22])=[O:23].[Na+:24]>>[CH2:1]([CH3:2])[O:3][C:4]([N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:12]1[c:13]([N:18]=[N:21][C:28]([C:27]([O:26][CH3:25])=[O:39])([C:29](=[O:30])[O:31][CH3:32])[NH:33][C:34]([CH:35]([CH3:36])[Cl:37])=[O:38])[cH:14][cH:15][cH:16][cH:17]1)=[O:19]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 946NitriteHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 13519230Ethyl (2-aminophenyl)phenylcarbamateHCID 13519319HCID 13519319, compound

Product 1

HCID 57036282HCID 57036282, compound

Sources & evidence

ORD record
ord-6d736aa206534544a6759a64e529084b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…