Acetic Acid → HCID 25160324, compound

HRID 302798Notes

Reaction equation

HRID 302798 reaction equation
[C:30]([BH3-:31])#[N:32].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][C:39]#[N:40].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:14][O:15][CH:16]([CH3:17])[c:18]3[cH:19][c:20]([N:27]([CH3:28])[CH3:29])[cH:21][c:22]4[cH:23][n:24][nH:25][c:26]34)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:33]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:14][O:15][CH:16]([CH3:17])[c:18]3[cH:19][c:20]([N:27]([CH3:28])[CH3:29])[cH:21][c:22]4[cH:23][n:24][nH:25][c:26]34)[CH2:9][CH2:10][N:11]([CH3:30])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 57546093HCID 57546093, compound

Product 1

HCID 25160324HCID 25160324, compound

Sources & evidence

ORD record
ord-c8ec049a734b4e898b6749a947a8e8da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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