Hydrochloric Acid → 12-Oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylic acid

HRID 698157Notes

Reaction equation

HRID 698157 reaction equation
[CH3:27][CH2:28][OH:29].[ClH:26].[Na+:25].[O:1]=[C:2]1[N:3]2[CH:4]([c:5]3[n:6]([cH:13][n:14][c:15]3[C:16](=[O:17])[O:18][CH2:19][CH3:20])-[c:7]3[c:8]1[cH:9][cH:10][cH:11][cH:12]3)[CH2:21][CH2:22][CH2:23]2.[OH-:24].[OH2:30]>>[O:1]=[C:2]1[N:3]2[CH:4]([c:5]3[n:6]([cH:13][n:14][c:15]3[C:16](=[O:17])[OH:18])-[c:7]3[c:8]1[cH:9][cH:10][cH:11][cH:12]3)[CH2:21][CH2:22][CH2:23]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 44264318Ethyl 11,12,13,13a-tetrahydro-9-oxo-9H-imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylate

Product 1

HCID 1973505812-Oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylic acid

Sources & evidence

ORD record
ord-6b0f11dddd6540b0bc250db84acf7c83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…