Acetic Acid → HCID 57538943, compound

HRID 299591Notes

Reaction equation

HRID 299591 reaction equation
[C:24]([O:25][BH-:26]([O:27][C:28](=[O:29])[CH3:30])[O:31][C:32](=[O:33])[CH3:34])(=[O:35])[CH3:36].[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:20][C:21](=[O:22])[OH:23].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[F:8][c:9]1[cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15][c:16]1[N+:17](=[O:18])[O-:19].[Na+:37]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:12][c:11]2[cH:10][c:9]([F:8])[c:16]([N+:17](=[O:18])[O-:19])[cH:15][cH:14]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 1140TolueneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 38081203-Fluoro-4-nitrobenzaldehyde

Product 1

HCID 57538943HCID 57538943, compound

Sources & evidence

ORD record
ord-e5120a02c7614eac858a22323dd8592a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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