Chloride → 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 99091Notes

Reaction equation

HRID 99091 reaction equation
[Br:5][c:6]1[n:7][c:8]([NH:24][C:25]([CH3:26])([c:27]2[c:28]([O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:29][cH:30][cH:31][cH:32]2)[CH3:41])[c:9](=[O:23])[n:10](-[c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([F:22])[c:20]2[CH3:21])[cH:11]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:1]1([NH2:4])[CH2:2][CH2:3]1.[CH:43]([Mg+:44])([CH3:45])[CH3:46].[Cl-:42].[ClH:47]>>[CH:1]1([NH:4][C:15]([c:14]2[cH:13][c:12](-[n:10]3[c:9](=[O:23])[c:8]([NH:24][C:25]([CH3:26])([c:27]4[c:28]([O:33][CH2:34][c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[cH:29][cH:30][cH:31][cH:32]4)[CH3:41])[n:7][c:6]([Br:5])[cH:11]3)[c:20]([CH3:21])[c:19]([F:22])[cH:18]2)=[O:16])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 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-bb3dc77b9e9b41e482ba744bf167c43a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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