Hydrochloric Acid → HCID 178472126, compound

HRID 184014Notes

Reaction equation

HRID 184014 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][c:14]2[cH:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:17]([NH2:18])[cH:19][cH:20]2)[cH:11][n:12]1.[CH3:32][CH:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[C:39]([CH3:40])=[O:41].[CH3:45][C:46]#[N:47].[CH3:49][CH2:50][OH:51].[ClH:44].[K+:43].[N:28]([O-:29])=[O:30].[Na+:31].[OH-:42].[OH2:48]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][c:14]2[cH:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:17]([NH:18][N:28]=[C:33]([CH3:32])[C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:19][cH:20]2)[cH:11][n:12]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 701Ethyl 2-methylacetoacetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 66726077HCID 66726077, compound

Product 1

HCID 178472126HCID 178472126, compound

Sources & evidence

ORD record
ord-a6ed9a861f4946f887d3c22e0e5072de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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