Acetic Acid → HCID 44581496, compound

HRID 175736Notes

Reaction equation

HRID 175736 reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[C:40]([BH3-:41])#[N:42].[CH2:34]=[O:35].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:30]([F:31])([F:32])[F:33])[c:12]3[c:13]2[C:14](=[O:29])[N:15]([c:18]2[cH:19][cH:20][c:21]([C:24]4([NH:27][CH3:28])[CH2:25][CH2:26]4)[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:7][cH:8]1.[CH3:46][C:47]#[N:48].[CH3:49][C:50](=[O:51])[CH3:52].[Na+:43].[Na+:45].[OH-:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[n:9]2[n:10][c:11]([C:30]([F:31])([F:32])[F:33])[c:12]3[c:13]2[C:14](=[O:29])[N:15]([c:18]2[cH:19][cH:20][c:21]([C:24]4([N:27]([CH3:28])[CH3:36])[CH2:25][CH2:26]4)[cH:22][cH:23]2)[CH2:16][CH2:17]3)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 180AcetoneHCID 712FormaldehydeHCID 923Sodium ion2×HCID 961HydroxideHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 44581495HCID 44581495, compound

Product 1

HCID 44581496HCID 44581496, compound

Sources & evidence

ORD record
ord-9912f9670ade40e9b5891927a8506cdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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