Acetic Acid → HCID 178435454, compound

HRID 2137287Notes

Reaction equation

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

Participants

Reactant 7

HCID 176Acetic Acid

HCID 887Methanol

HCID 923Sodium ion

HCID 30165Iodide Ion2×

HCID 32051Zinc(2+)

HCID 498716Cyano-borohydride

HCID 21848755HCID 21848755, compound

Product 1

HCID 178435454HCID 178435454, compound

Sources & evidence

ORD record: ord-28b55faf0bd44745955059016edab383
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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