Hydrochloric Acid → 7-[(4-methyl-3-phenyl piperazin-1-yl)carbonyl]-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one

HRID 1149383Notes

Reaction equation

HRID 1149383 reaction equation
[C:58](=[O:59])([O-:60])[OH:61].[CH3:23][N:24]1[CH:25]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:47][N:48]([CH3:49])[CH2:50][CH2:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH3:57].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[ClH:21].[ClH:22].[ClH:46].[Na+:62].[O:1]=[c:2]1[c:3]2[n:4]([c:5]3[cH:6][cH:7][c:8]([C:12](=[O:13])[OH:14])[cH:9][c:10]3[nH:11]1)[c:15]([CH2:18][CH2:19][CH3:20])[n:16][n:17]2.[OH:36][n:37]1[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[O:1]=[c:2]1[c:3]2[n:4]([c:5]3[cH:6][cH:7][c:8]([C:12](=[O:14])[N:27]4[CH2:26][CH:25]([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[N:24]([CH3:23])[CH2:29][CH2:28]4)[cH:9][c:10]3[nH:11]1)[c:15]([CH2:18][CH2:19][CH3:20])[n:16][n:17]2

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 221497141-Methyl-2-phenylpiperazineHCID 585752814-Oxo-1-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid

Product 1

HCID 585755687-[(4-methyl-3-phenyl piperazin-1-yl)carbonyl]-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one

Sources & evidence

ORD record
ord-995b12ee7d144811b562388284d8eb8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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