1-(Benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole → 9-(1-Benzenesulfonyl-1H-pyrazol-4-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 690638Notes

Reaction equation

HRID 690638 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2.[c:24]1([S:30](=[O:31])(=[O:32])[n:33]2[n:34][cH:35][c:36]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:37]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[c:2]1(-[c:36]2[cH:35][n:34][n:33]([S:30]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)(=[O:31])=[O:32])[cH:37]2)[cH:3][cH:4][c:5]2[c:6]([cH:23]1)-[c:7]1[n:8][c:9](-[c:15]3[n:16]([CH:20]([CH3:21])[CH3:22])[n:17][cH:18][n:19]3)[s:10][c:11]1[CH2:12][CH2:13][O:14]2

Participants

3

Reactant 2

HCID 447552031-(Benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 532349749-Bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Product 1

HCID 582041929-(1-Benzenesulfonyl-1H-pyrazol-4-yl)-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

Sources & evidence

ORD record
ord-cea336bb0dc54a3b9535a4ae56037c15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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