Acetic Acid → HCID 11315931, compound

HRID 683823Notes

Reaction equation

HRID 683823 reaction equation
[C:38]([OH:39])(=[O:40])[CH3:41].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][OH:54].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([O:21][c:22]3[c:23]([F:29])[cH:24][c:25]([Br:28])[cH:26][cH:27]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1.[Cu:55][I:56].[Na+:37].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH-:36].[Si:30]([CH3:31])([CH3:32])([CH3:33])[C:34]#[CH:35]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][c:14]2[n:15][cH:16][n:17][c:18]([O:21][c:22]3[c:23]([F:29])[cH:24][c:25]([C:34]#[CH:35])[cH:26][cH:27]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 66111TrimethylsilylacetyleneHCID 59856682HCID 59856682, compound

Product 1

HCID 11315931HCID 11315931, compound

Sources & evidence

ORD record
ord-fede42cb069b47548c0fb3bac4667163
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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