Acetic Acid → HCID 178434309, compound

HRID 1216154Notes

Reaction equation

HRID 1216154 reaction equation
[C:33]([BH3-:34])#[N:35].[CH2:31]=[O:32].[CH3:1][c:2]1[n:3][nH:4][c:5]2[c:6]([CH:15]([CH3:16])[O:17][CH2:18][C:19]3([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][c:10]12.[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][C:42]#[N:43].[Na+:36]>>[CH3:1][c:2]1[n:3][nH:4][c:5]2[c:6]([CH:15]([CH3:16])[O:17][CH2:18][C:19]3([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:20][CH2:21][N:22]([CH3:33])[CH2:23][CH2:24]3)[cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][c:10]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 178434308HCID 178434308, compound

Product 1

HCID 178434309HCID 178434309, compound

Sources & evidence

ORD record
ord-dba9f06aac5f4ddeb704a5f9d85c0996
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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