Benzaldehyde → Trifluoroacetic acid

HRID 284476Notes

Reaction equation

HRID 284476 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:69][CH2:70][OH:71].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][n:15]2[n:16][cH:17][c:18]3[c:19]2[n:20][cH:21][c:22]2[c:27]3[CH2:26][CH2:25][CH:24]([NH2:28])[CH2:23]2)[cH:29][cH:30]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[CH:40](=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:61]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][n:15]2[n:16][cH:17][c:18]3[c:19]2[n:20][cH:21][c:22]2[c:27]3[CH2:26][CH2:25][CH:24]([NH:28][CH2:40][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:23]2)[cH:29][cH:30]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

10

Reactant 8

HCID 240BenzaldehydeHCID 702EthanolHCID 923Sodium ionHCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 2724942TriacetoxyborohydrideHCID 59490392HCID 59490392, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 59490853HCID 59490853, compound

Sources & evidence

ORD record
ord-2be86ff2250d4dc39971868cb01e6a89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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