Hydrochloric Acid → 1-[2-(4-aminopiperidin-1-yl)ethyl]-5,7-difluoroquinoxalin-2(1H)-one

HRID 2129144Notes

Reaction equation

HRID 2129144 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH:51]([Cl:52])([Cl:53])[Cl:54].[ClH:30].[ClH:31].[F:1][c:2]1[c:3]2[n:4][cH:5][c:6](=[O:29])[n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH:18]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]3)[c:8]2[cH:9][c:10]([F:12])[cH:11]1.[Na+:42].[Na+:43].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50]>>[F:1][c:2]1[c:3]2[n:4][cH:5][c:6](=[O:29])[n:7]([CH2:13][CH2:14][N:15]3[CH2:16][CH2:17][CH:18]([NH2:21])[CH2:19][CH2:20]3)[c:8]2[cH:9][c:10]([F:12])[cH:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 19660Carbonate IonHCID 312751,4-Dioxane2×HCID 86642657tert-butyl{1-[2-(5,7-difluoro-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate

Product 1

HCID 667741441-[2-(4-aminopiperidin-1-yl)ethyl]-5,7-difluoroquinoxalin-2(1H)-one

Sources & evidence

ORD record
ord-6967bbf0a158450d96da77c1b068a97b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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