Acetic Acid → HCID 25160583, compound

HRID 198971Notes

Reaction equation

HRID 198971 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:42][C:43](=[O:44])[OH:45].[CH:1]1([n:4]2[n:5][cH:6][c:7]3[cH:8][c:9]([CH3:37])[cH:10][c:11]([CH:13]([CH3:14])[O:15][CH2:16][C:17]4([c:30]5[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]5)[CH2:18][CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]4)[c:12]23)[CH2:2][CH2:3]1.[Na+:41].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[CH:1]1([n:4]2[n:5][cH:6][c:7]3[cH:8][c:9]([CH3:37])[cH:10][c:11]([CH:13]([CH3:14])[O:15][CH2:16][C:17]4([c:30]5[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]5)[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]4)[c:12]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 57546248HCID 57546248, compound

Product 1

HCID 25160583HCID 25160583, compound

Sources & evidence

ORD record
ord-52204a76ce374e088bfa38f678d77001
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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