Acetic Acid → 7-fluoro-1-(2-(4-((5-(thiophen-2-yl)isoxazol-3-yl)methylamino)piperidin-1-yl)ethyl)quinoxalin-2(1H)-one

HRID 1127823

Reaction equation

HRID 1127823 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:48](=[O:49])([O-:50])[OH:51].[CH3:53][C:54](=[O:55])[OH:56].[CH:57]([Cl:58])([Cl:59])[Cl:60].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:47].[Na+:52].[s:22]1[c:23](-[c:27]2[cH:28][c:29]([CH:32]=[O:33])[n:30][o:31]2)[cH:24][cH:25][cH:26]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([F:20])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:32][c:29]1[cH:28][c:27](-[c:23]2[s:22][cH:26][cH:25][cH:24]2)[o:31][n:30]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 2724942TriacetoxyborohydrideHCID 27765465-Thiophen-2-yl-isoxazole-3-carbaldehydeHCID 593979071-(2-(4-aminopiperidin-1-yl)ethyl)-7-fluoroquinoxalin-2(1H)-one

Product 1

HCID 593983557-fluoro-1-(2-(4-((5-(thiophen-2-yl)isoxazol-3-yl)methylamino)piperidin-1-yl)ethyl)quinoxalin-2(1H)-one

Sources & evidence

ORD record
ord-a57fb0c6a1d6454cacce0c3ee09315fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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