Acetic Acid → HCID 178469243, compound

HRID 2125776Notes

Reaction equation

HRID 2125776 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[CH:20]1[CH2:21][CH2:22][N:23]([C:26]([c:27]2[cH:28][c:29]([CH:33]([c:34]3[cH:35][c:36]([OH:40])[cH:37][cH:38][cH:39]3)[N:41]3[CH:42]([CH3:48])[CH2:43][NH:44][CH:45]([CH3:47])[CH2:46]3)[cH:30][cH:31][cH:32]2)=[O:49])[CH2:24][CH2:25]1.[CH3:59][C:60](=[O:61])[OH:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[F:50][c:51]1[cH:52][c:53]([CH:54]=[O:55])[cH:56][cH:57][cH:58]1.[Na+:14]>>[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[CH:20]1[CH2:21][CH2:22][N:23]([C:26]([c:27]2[cH:28][c:29]([CH:33]([c:34]3[cH:35][c:36]([OH:40])[cH:37][cH:38][cH:39]3)[N:41]3[CH:42]([CH3:48])[CH2:43][N:44]([CH2:54][c:53]4[cH:52][c:51]([F:50])[cH:58][cH:57][cH:56]4)[CH:45]([CH3:47])[CH2:46]3)[cH:30][cH:31][cH:32]2)=[O:49])[CH2:24][CH2:25]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 680093-FluorobenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 178469241HCID 178469241, compound

Product 1

HCID 178469243HCID 178469243, compound

Sources & evidence

ORD record
ord-5b34b23036b44d9da5d52c8cfe5f3278
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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