Dimethyl Sulfoxide → 1-{8-[1-(2-Hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl}-3,5,5-trimethyl-imidazolidine-2,4-dione

HRID 1131687Notes

Reaction equation

HRID 1131687 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:24])[N:17]([CH3:23])[C:18](=[O:22])[C:19]2([CH3:20])[CH3:21])[s:14]1.[CH3:26][C:27]([CH2:28][n:29]1[n:30][cH:31][c:32]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:33]1)([CH3:43])[OH:44].[CH3:46][S:47]([CH3:48])=[O:49].[Pd:45]>>[c:2]1(-[c:32]2[cH:31][n:30][n:29]([CH2:28][C:27]([CH3:26])([CH3:43])[OH:44])[cH:33]2)[cH:3][cH:4][c:5]2[c:6]([cH:25]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:24])[N:17]([CH3:23])[C:18](=[O:22])[C:19]2([CH3:20])[CH3:21])[s:14]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 23938PalladiumHCID 582037031-(8-Bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepin-2-yl)-3,5,5-trimethylimidazolidin-2,4-dioneHCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-ol

Product 1

HCID 582040671-{8-[1-(2-Hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-yl}-3,5,5-trimethyl-imidazolidine-2,4-dione

Sources & evidence

ORD record
ord-ccffb5796f31471e9cde914ddddcdba9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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