Acetic Acid → HCID 59144109, compound

HRID 2147312Notes

Reaction equation

HRID 2147312 reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH2:10][CH:11]=[O:12].[CH3:40][C:41](=[O:42])[OH:43].[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][c:18]2[c:19]([cH:24][cH:25]1)[O:20][CH2:21][CH2:22][NH:23]2.[Na+:39]>>[CH3:1][N:2]([C:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:9])[CH2:10][CH2:11][N:23]1[c:18]2[cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:25][cH:24][c:19]2[O:20][CH2:21][CH2:22]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 70622256-nitro-3,4-dihydro-2H-1,4-benzoxazineHCID 10725881tert-butyl N-methyl-N-(2-oxoethyl)carbamate

Product 1

HCID 59144109HCID 59144109, compound

Sources & evidence

ORD record
ord-037018c24c9548a3be79e90c0df30d6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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