Bicarbonate Ion → [4-(4-Bromo-2,5-dichloro-phenoxy)-6-methyl-pyridin-3-yl]-(4-cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-methanone

HRID 115895Notes

Reaction equation

HRID 115895 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:20])[c:5]([O:6][c:7]2[cH:8][c:9]([CH3:16])[n:10][cH:11][c:12]2[C:13](=[O:14])[OH:15])[cH:17][c:18]1[Cl:19].[C:67](=[O:68])([OH:69])[O-:70].[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:54]1([N:57]2[CH2:58][CH2:59][NH:60][c:61]3[cH:62][cH:63][cH:64][cH:65][c:66]32)[CH2:55][CH2:56]1.[Na+:71].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Br:1][c:2]1[cH:3][c:4]([Cl:20])[c:5]([O:6][c:7]2[cH:8][c:9]([CH3:16])[n:10][cH:11][c:12]2[C:13](=[O:15])[N:60]2[CH2:59][CH2:58][N:57]([CH:54]3[CH2:55][CH2:56]3)[c:66]3[c:61]2[cH:62][cH:63][cH:64][cH:65]3)[cH:17][c:18]1[Cl:19]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673194804-(4-Bromo-2,5-dichloro-phenoxy)-6-methyl-nicotinic acidHCID 673207551-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline

Product 1

HCID 53311447[4-(4-Bromo-2,5-dichloro-phenoxy)-6-methyl-pyridin-3-yl]-(4-cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-methanone

Sources & evidence

ORD record
ord-2709c1476b2a4bf2989ffbdfabe3e18a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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