Hydrochloric Acid → 11-Oxo-13-(trifluoromethyl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid

HRID 86957Notes

Reaction equation

HRID 86957 reaction equation
[CH3:29][CH2:30][OH:31].[ClH:32].[Na+:28].[O:1]=[C:2]1[N:3]2[CH:4]([c:5]3[n:6]([cH:17][n:18][c:19]3[C:20](=[O:21])[O:22][CH2:23][CH3:24])-[c:7]3[c:8]1[c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]3)[CH2:25][CH2:26]2.[OH-:27].[OH2:33]>>[O:1]=[C:2]1[N:3]2[CH:4]([c:5]3[n:6]([cH:17][n:18][c:19]3[C:20](=[O:21])[OH:22])-[c:7]3[c:8]1[c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][cH:11][cH:12]3)[CH2:25][CH2:26]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178470263HCID 178470263, compound

Product 1

HCID 2128997911-Oxo-13-(trifluoromethyl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid

Sources & evidence

ORD record
ord-53e7c5da2dfd4aa3aeeda385addc4e69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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