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

HRID 1217144Notes

Reaction equation

HRID 1217144 reaction equation
[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.[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([CH3:14])[n:8][cH:9][c:10]2[C:11](=[O:12])[O-:13])[cH:15][c:16]([Cl:19])[cH:17][cH:18]1.[Li+:20].[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>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([CH3:14])[n:8][cH:9][c:10]2[C:11](=[O:13])[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:15][c:16]([Cl:19])[cH:17][cH:18]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673207551-Cyclopropyl-1,2,3,4-tetrahydroquinoxalineHCID 178428830HCID 178428830, compound

Product 1

HCID 53259032(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2,5-dichloro-phenoxy)-6-methyl-pyridin-3-yl]-methanone

Sources & evidence

ORD record
ord-0883c1dac55949daaa3fec36c588379a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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