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

HRID 195691Notes

Reaction equation

HRID 195691 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.[CH:24]([CH3:25])([CH3:26])[O:27][c:28]1[n:29][cH:30][cH:31][cH:32][c:33]1[B:34]1[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]1>>[c:2]1(-[c:33]2[c:28]([O:27][CH:24]([CH3:25])[CH3:26])[n:29][cH:30][cH:31][cH:32]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 177501922-Isopropoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineHCID 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 582037919-(2-Isopropoxy-pyridin-3-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-0bbdf2ec0f1046b4ab9c0db876e31c1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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