Dimethyl Sulfoxide → 3-{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}-1,4,4-trimethyl-imidazolidin-2-one

HRID 688956Notes

Reaction equation

HRID 688956 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:23])[N:17]([CH3:22])[CH2:18][C:19]2([CH3:20])[CH3:21])[s:14]1.[CH3:25][C:26]([CH2:27][n:28]1[n:29][cH:30][c:31]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[cH:32]1)([CH3:42])[OH:43].[CH3:44][S:45]([CH3:46])=[O:47]>>[c:2]1(-[c:31]2[cH:30][n:29][n:28]([CH2:27][C:26]([CH3:25])([CH3:42])[OH:43])[cH:32]2)[cH:3][cH:4][c:5]2[c:6]([cH:24]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:23])[N:17]([CH3:22])[CH2:18][C:19]2([CH3:20])[CH3:21])[s:14]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 582041271-(8-Bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepin-2-yl)-3,5,5-trimethylimidazolidin-2-oneHCID 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 582041473-{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}-1,4,4-trimethyl-imidazolidin-2-one

Sources & evidence

ORD record
ord-97f59e73cb41407a9173f75281289775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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