Sodium ion → 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)-2,7-dimethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

HRID 2312175Notes

Reaction equation

HRID 2312175 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]1[C:15](=[O:40])[C:16]([c:29]2[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]2)([CH3:39])[O:17][c:18]2[c:19]1[cH:20][c:21]([C:25](=[O:26])[O:27][CH3:28])[c:22]([CH3:24])[cH:23]2.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[Na+:42].[OH-:41]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][N:14]1[C:15](=[O:40])[C:16]([c:29]2[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]2)([CH3:39])[O:17][c:18]2[c:19]1[cH:20][c:21]([C:25](=[O:26])[OH:27])[c:22]([CH3:24])[cH:23]2

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 67331419HCID 67331419, compound

Product 1

HCID 673300524-(2-{[(benzyloxy)carbonyl]amino}ethyl)-2,7-dimethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

Sources & evidence

ORD record
ord-3559af57a74c4fb18382d826e92e314d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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