Acetic Acid → HCID 25160584, compound

HRID 169709Notes

Reaction equation

HRID 169709 reaction equation
[C:39]([BH3-:40])#[N:41].[CH3:43][C:44](=[O:45])[OH:46].[CH:1]1([CH2:4][n:5]2[n:6][c:7]3[c:8]([CH:15]([CH3:16])[O:17][CH2:18][C:19]4([c:32]5[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]5)[CH2:20][CH2:21][N:22]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:23][CH2:24]4)[cH:9][c:10]([CH3:14])[cH:11][c:12]3[cH:13]2)[CH2:2][CH2:3]1.[Na+:42].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[CH:1]1([CH2:4][n:5]2[n:6][c:7]3[c:8]([CH:15]([CH3:16])[O:17][CH2:18][C:19]4([c:32]5[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]5)[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]4)[cH:9][c:10]([CH3:14])[cH:11][c:12]3[cH:13]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 57546182HCID 57546182, compound

Product 1

HCID 25160584HCID 25160584, compound

Sources & evidence

ORD record
ord-93de04a802994f73b61df5966d832edc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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