Bromide ion → 9-Cyclopentyl-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene

HRID 298007Notes

Reaction equation

HRID 298007 reaction equation
[Br-:27].[Br:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:26]1)-[c:10]1[n:11][c:12](-[c:18]3[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]3)[s:13][c:14]1[CH2:15][CH2:16][O:17]2.[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH:28]1([Zn+:33])[CH2:29][CH2:30][CH2:31][CH2:32]1.[Cl:1][CH2:2][Cl:3].[ClH:40].[Cu:41][I:42]>>[c:5]1([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[cH:6][cH:7][c:8]2[c:9]([cH:26]1)-[c:10]1[n:11][c:12](-[c:18]3[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]3)[s:13][c:14]1[CH2:15][CH2:16][O:17]2

Participants

8

Reactant 7

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 532349749-Bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azuleneHCID 178528063HCID 178528063, compound

Product 1

HCID 582037209-Cyclopentyl-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-ca232676251044d1b87e4ae7809286f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…