Acetic Acid → HCID 25159785, compound

HRID 1552856Notes

Reaction equation

HRID 1552856 reaction equation
[C:30]([BH3-:31])#[N:32].[CH3:1][n:2]1[n:3][c:4]2[c:5]([CH2:15][O:16][CH2:17][C:18]3([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][c:9]2[cH:10]1.[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][C:39]#[N:40].[Na+:33]>>[CH3:1][n:2]1[n:3][c:4]2[c:5]([CH2:15][O:16][CH2:17][C:18]3([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:19][CH2:20][N:21]([CH3:30])[CH2:22][CH2:23]3)[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][c:9]2[cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 25159783HCID 25159783, compound

Product 1

HCID 25159785HCID 25159785, compound

Sources & evidence

ORD record
ord-51c95014aaec49df8002522549378e13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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