Hydrochloric Acid → {2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-acetic acid methyl ester

HRID 1239629Notes

Reaction equation

HRID 1239629 reaction equation
[CH3:68][O:69][C:70]([CH2:71][NH2:72])=[O:73].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([Cl:33])[c:9]([O:11][c:12]2[c:13]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH:30]4[CH2:31][CH2:32]4)[c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]43)[cH:14][n:15][cH:16][cH:17]2)[cH:10]1.[ClH:67].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:72][CH2:71][C:70]([O:69][CH3:68])=[O:73])[cH:7][c:8]([Cl:33])[c:9]([O:11][c:12]2[c:13]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH:30]4[CH2:31][CH2:32]4)[c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]43)[cH:14][n:15][cH:16][cH:17]2)[cH:10]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 69221Glycine methyl esterHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673205762,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoic acid

Product 1

HCID 53312194{2,5-Dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-4-yloxy]-benzoylamino}-acetic acid methyl ester

Sources & evidence

ORD record
ord-054f35380b4642ea8124823c620c71fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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