Acetate → 3-[3-Chloro-5-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiophen-2-yl]-8-(1-ethyl-propyl)-6-methyl-2-trifluoromethyl-imidazo[1,2-b]pyridazine

HRID 169299Notes

Reaction equation

HRID 169299 reaction equation
[Br-:38].[Br:20][c:21]1[c:22]([Cl:32])[cH:23][c:24](-[c:26]2[n:27][cH:28][n:29][n:30]2[CH3:31])[s:25]1.[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2.[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[K+:37].[O-:33][C:34]([CH3:35])=[O:36].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[Pd+2:63]>>[CH2:1]([CH3:2])[CH:3]([CH2:4][CH3:5])[c:6]1[c:7]2[n:8]([n:9][c:10]([CH3:12])[cH:11]1)[c:13](-[c:21]1[c:22]([Cl:32])[cH:23][c:24](-[c:26]3[n:27][cH:28][n:29][n:30]3[CH3:31])[s:25]1)[c:14]([C:16]([F:17])([F:18])[F:19])[n:15]2

Participants

9

Reactant 8

HCID 175Acetate3×HCID 259Bromide ionHCID 813Potassium CationHCID 13387N-methyl-2-pyrrolidoneHCID 16028TetrabutylammoniumHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 667214755-(5-Bromo-4-chloro-thiophen-2-yl)-1-methyl-[1,2,4]triazoleHCID 688409078-(1-Ethyl-propyl)-6-methyl-2-trifluoromethyl-imidazo[1,2-b]pyridazine

Product 1

HCID 579329113-[3-Chloro-5-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiophen-2-yl]-8-(1-ethyl-propyl)-6-methyl-2-trifluoromethyl-imidazo[1,2-b]pyridazine

Sources & evidence

ORD record
ord-8f1444ee0a504c648e5a1b4b664e6168
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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