Hydrochloric Acid → methyl 5-[3-({1-[2-(benzyloxy)phenyl]cyclopropyl}amino)-5-bromo-2-oxopyrazin-1(2H)-yl]-2-fluoro-4-methylbenzoate

HRID 1562866Notes

Reaction equation

HRID 1562866 reaction equation
[Br:19][c:20]1[c:21](=[O:39])[n:22](-[c:27]2[c:28]([CH3:38])[cH:29][c:30]([F:37])[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36]2)[cH:23][c:24]([Br:26])[n:25]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:15]2([NH2:18])[CH2:16][CH2:17]2)[cH:11][cH:12][cH:13][cH:14]1.[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[ClH:55].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:15]2([NH:18][c:20]3[c:21](=[O:39])[n:22](-[c:27]4[c:28]([CH3:38])[cH:29][c:30]([F:37])[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36]4)[cH:23][c:24]([Br:26])[n:25]3)[CH2:16][CH2:17]2)[cH:11][cH:12][cH:13][cH:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 666857581-(2-(Benzyloxy)phenyl)cyclopropanamineHCID 66689569methyl 5-(3,5-dibromo-2-oxopyrazin-1(2H)-yl)-2-fluoro-4-methylbenzoate

Product 1

HCID 66689853methyl 5-[3-({1-[2-(benzyloxy)phenyl]cyclopropyl}amino)-5-bromo-2-oxopyrazin-1(2H)-yl]-2-fluoro-4-methylbenzoate

Sources & evidence

ORD record
ord-32b7eae4cd1f44d7944544b9f6c5ad7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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