Hydrochloric Acid → HCID 178472127, compound

HRID 169173Notes

Reaction equation

HRID 169173 reaction equation
[CH3:1][O:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][c:13]([O:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[c:14]([NH2:15])[cH:16][cH:17]2)[cH:8][n:9]1.[CH3:29][CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[C:36]([CH3:37])=[O:38].[CH3:42][C:43]#[N:44].[CH3:46][CH2:47][OH:48].[ClH:41].[K+:40].[N:25]([O-:26])=[O:27].[Na+:28].[OH-:39].[OH2:45]>>[CH3:1][O:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][c:13]([O:18][CH:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[c:14]([NH:15][N:25]=[C:30]([CH3:29])[C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:16][cH:17]2)[cH:8][n:9]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 701Ethyl 2-methylacetoacetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 66725896HCID 66725896, compound

Product 1

HCID 178472127HCID 178472127, compound

Sources & evidence

ORD record
ord-2acf844df9314b46841dd3ad01324089
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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