Bicarbonate Ion → 6-chloro-3,4-dihydro-3-oxo-N-[1-(2-phenylethyl)-4-piperidyl]-2H-1,4-benzoxazine-8-carboxamide

HRID 1218927

Reaction equation

HRID 1218927 reaction equation
[C:16]([Cl:17])(=[O:18])[O:19][CH2:20][CH3:21].[C:37](=[O:38])([O-:39])[OH:40].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[Cl:1][c:2]1[cH:3][c:4]([C:13](=[O:14])[OH:15])[c:5]2[c:6]([cH:12]1)[NH:7][C:8](=[O:11])[CH2:9][O:10]2.[NH2:22][CH:23]1[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:27][CH2:28]1.[Na+:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[Cl:1][c:2]1[cH:3][c:4]([C:13](=[O:15])[NH:22][CH:23]2[CH2:24][CH2:25][N:26]([CH2:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:27][CH2:28]2)[c:5]2[c:6]([cH:12]1)[NH:7][C:8](=[O:11])[CH2:9][O:10]2

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 107287881-(2-Phenylethyl)piperidin-4-amineHCID 147198366-Chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid

Product 1

HCID 147198426-chloro-3,4-dihydro-3-oxo-N-[1-(2-phenylethyl)-4-piperidyl]-2H-1,4-benzoxazine-8-carboxamide

Sources & evidence

ORD record
ord-ae7bccb8b8784cafbdd446cba14424ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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