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}-5,5-dimethyl-imidazolidin-2-one

HRID 682402Notes

Reaction equation

HRID 682402 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:22])[NH:17][CH2:18][C:19]2([CH3:20])[CH3:21])[s:14]1.[CH3:24][C:25]([CH2:26][n:27]1[n:28][cH:29][c:30]([B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:31]1)([CH3:41])[OH:42].[CH3:43][S:44]([CH3:45])=[O:46]>>[c:2]1(-[c:30]2[cH:29][n:28][n:27]([CH2:26][C:25]([CH3:24])([CH3:41])[OH:42])[cH:31]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[n:12][c:13]([N:15]2[C:16](=[O:22])[NH:17][CH2:18][C:19]2([CH3:20])[CH3:21])[s:14]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 582041312-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propan-2-olHCID 582042741-(8-Bromo-4,5-dihydrothiazolo[4,5-d]benzo[b]oxepin-2-yl)-5,5-dimethylimidazolidin-2-one

Product 1

HCID 582037421-{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}-5,5-dimethyl-imidazolidin-2-one

Sources & evidence

ORD record
ord-ca9184d7dd0e44f4a0da1e53bdd69b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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