Imidazole → 6-(1-{6-[3-(1H-imidazol-1-yl)phenyl][1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}cyclopropyl)quinoline

HRID 1148460Notes

Reaction equation

HRID 1148460 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]2([c:20]4[cH:21][c:22]5[cH:23][cH:24][cH:25][n:26][c:27]5[cH:28][cH:29]4)[CH2:18][CH2:19]2)[n:15][n:16]3)[cH:5][cH:6][cH:7]1.[C:47](=[O:48])([O-:49])[O-:50].[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:37][NH:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH:44]1[NH:45][CH3:46].[Cs+:51].[Cs+:52].[Cu:59][I:60].[I-:36].[Na+:35].[nH:30]1[cH:31][n:32][cH:33][cH:34]1>>[c:2]1(-[n:30]2[cH:31][n:32][cH:33][cH:34]2)[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]2([c:20]4[cH:21][c:22]5[cH:23][cH:24][cH:25][n:26][c:27]5[cH:28][cH:29]4)[CH2:18][CH2:19]2)[n:15][n:16]3)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 795ImidazoleHCID 923Sodium ionHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 30165Iodide IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 248296296-{1-[6-(3-Bromophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]cyclopropyl}quinoline

Product 1

HCID 248301386-(1-{6-[3-(1H-imidazol-1-yl)phenyl][1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}cyclopropyl)quinoline

Sources & evidence

ORD record
ord-a93466d192f04aa3b1a2f2b0b5e01f54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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