Bicarbonate Ion → N-[1-(4-bromo-3-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-methylacetamide

HRID 1558780Notes

Reaction equation

HRID 1558780 reaction equation
[Br:1][c:2]1[c:3]([F:18])[cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[NH:16][CH3:17])[cH:6][cH:7]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[Cl:19][c:20]1[c:21]([Cl:35])[cH:22][c:23]2[c:24]([cH:34]1)[N:25]([CH2:30][C:31](=[O:32])[OH:33])[C:26](=[O:29])[CH2:27][O:28]2.[Na+:74].[O-:70][C:71]([OH:72])=[O:73].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][P+:45]([N:46]([CH3:47])[CH3:48])([N:49]([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[Br:1][c:2]1[c:3]([F:18])[cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[N:16]([CH3:17])[C:31]([CH2:30][N:25]2[c:24]3[c:23]([cH:22][c:21]([Cl:35])[c:20]([Cl:19])[cH:34]3)[O:28][CH2:27][C:26]2=[O:29])=[O:33])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 574888462-(6,7-Dichloro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)acetic acidHCID 574890531-(4-bromo-3-fluorophenyl)-N-methyl-2-(4-morpholinyl)ethanamine

Product 1

HCID 57489052N-[1-(4-bromo-3-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-methylacetamide

Sources & evidence

ORD record
ord-9a9f9171fc31414ba6f239f86923982e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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