Acetic Acid → HCID 23593727, compound

HRID 210204Notes

Reaction equation

HRID 210204 reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[C:39]([BH3-:40])#[N:41].[CH3:43][OH:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:1]1([c:4]2[c:5]([NH:21][CH:22]3[CH:23]([NH2:31])[CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]43)[n:6][c:7]([CH:18]3[CH2:19][CH2:20]3)[c:8](-[c:10]3[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]3)[n:9]2)[CH2:2][CH2:3]1.[CH:32]([CH3:33])=[O:34].[Na+:42]>>[CH:1]1([c:4]2[c:5]([NH:21][CH:22]3[CH:23]([NH:31][CH2:32][CH3:33])[CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]43)[n:6][c:7]([CH:18]3[CH2:19][CH2:20]3)[c:8](-[c:10]3[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]3)[n:9]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 23593725HCID 23593725, compound

Product 1

HCID 23593727HCID 23593727, compound

Sources & evidence

ORD record
ord-f76226202e40465ea05c45b88a76cff8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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