Ammonium → 3-[5-Bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide

HRID 161438Notes

Reaction equation

HRID 161438 reaction equation
[Br:1][c:2]1[n:3][c:4]([NH:20][C:21]([CH3:22])([c:23]2[c:24]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:25][cH:26][cH:27][cH:28]2)[CH3:37])[c:5](=[O:19])[n:6](-[c:8]2[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([F:18])[c:16]2[CH3:17])[cH:7]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:38]1([NH2:41])[CH2:39][CH2:40]1.[CH:43]([Mg+:44])([CH3:45])[CH3:46].[Cl-:42].[Cl-:52].[NH4+:53]>>[Br:1][c:2]1[n:3][c:4]([NH:20][C:21]([CH3:22])([c:23]2[c:24]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:25][cH:26][cH:27][cH:28]2)[CH3:37])[c:5](=[O:19])[n:6](-[c:8]2[cH:9][c:10]([C:11](=[O:13])[NH:41][CH:38]3[CH2:39][CH2:40]3)[cH:14][c:15]([F:18])[c:16]2[CH3:17])[cH:7]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312Chloride2×HCID 8028TetrahydrofuranHCID 69828CyclopropylamineHCID 666898933-[5-Bromo-2-oxo-3-[2-(2-phenylmethoxyphenyl)propan-2-ylamino]pyrazin-1-yl]-5-fluoro-4-methylbenzoic acidHCID 178461726HCID 178461726, compound

Product 1

HCID 666887063-[5-Bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide

Sources & evidence

ORD record
ord-d563bfb22ca14a729fa333c234f7fbec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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