Sodium ion → 7-Fluoro-3-methyl-1-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione

HRID 197608Notes

Reaction equation

HRID 197608 reaction equation
[C:53]([O:54][BH-:55]([O:56][C:57](=[O:58])[CH3:59])[O:60][C:61](=[O:62])[CH3:63])(=[O:64])[CH3:65].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:67][CH2:68][Cl:69].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:30])[n:19]([CH3:29])[c:20](=[O:28])[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][c:26]23)[CH2:13][CH2:14]1.[Na+:66].[O:40]=[C:41]1[NH:42][c:43]2[c:44]([cH:47][cH:48][c:49]([CH:51]=[O:52])[n:50]2)[O:45][CH2:46]1.[OH2:70]>>[NH:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:30])[n:19]([CH3:29])[c:20](=[O:28])[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][c:26]23)[CH2:13][CH2:14]1)[CH2:51][c:49]1[cH:48][cH:47][c:44]2[c:43]([n:50]1)[NH:42][C:41](=[O:40])[CH2:46][O:45]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667738011-[2-(4-Aminopiperidin-1-yl)ethyl]-7-fluoro-3-methylquinazoline-2,4(1H,3H)-dione

Product 1

HCID 159824057-Fluoro-3-methyl-1-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione

Sources & evidence

ORD record
ord-2fe2442cd7d943f3ba8e6e78f5690287
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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