Acetic Acid → HCID 16754249, compound

HRID 688513Notes

Reaction equation

HRID 688513 reaction equation
[C:47]([BH3-:48])#[N:49].[CH3:39][C:40]([CH3:41])=[O:42].[CH3:43][C:44](=[O:45])[OH:46].[Na+:50].[O-:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[c:9]2[n:10]([CH2:26][C:27]([F:28])([F:29])[F:30])[c:11]3[cH:12][cH:13][c:14]([O:18][CH2:19][CH:20]4[O:21][CH2:22][CH2:23][NH:24][CH2:25]4)[cH:15][c:16]3[cH:17]2)[CH2:5][CH2:6]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:38]>>[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[c:9]2[n:10]([CH2:26][C:27]([F:28])([F:29])[F:30])[c:11]3[cH:12][cH:13][c:14]([O:18][CH2:19][CH:20]4[O:21][CH2:22][CH2:23][N:24]([CH:40]([CH3:39])[CH3:41])[CH2:25]4)[cH:15][c:16]3[cH:17]2)[CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 84468TrifluoroacetateHCID 498716Cyano-borohydrideHCID 67527009HCID 67527009, compound

Product 1

HCID 16754249HCID 16754249, compound

Sources & evidence

ORD record
ord-a15466f5437945c5a63496154ca16f16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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