Hydrochloric Acid → Hydrochloric Acid

HRID 215218Notes

Reaction equation

HRID 215218 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH:17]=[O:18])[CH2:15][CH2:16]2.[C:28]([BH3-:29])#[N:30].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH2:27].[CH3:37][OH:38].[ClH:19].[Na+:31].[O-:32][P:33](=[O:34])([O-:35])[O-:36]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][NH:27][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:15][CH2:16]2.[ClH:19]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 1061PhosphateHCID 7504BenzylamineHCID 498716Cyano-borohydrideHCID 541235619-Bromo-5-formyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Product 2

HCID 313Hydrochloric AcidHCID 5423848012-[(Benzylamino)methyl]-7-bromo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,3-dione

Sources & evidence

ORD record
ord-8c20eec3cbfc484f84c9033d4b14a433
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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