Bromide ion → 6-[4-Methyl-4-(2-trifluoromethylphenoxy)piperidin-1-YL]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide

HRID 93262

Reaction equation

HRID 93262 reaction equation
[Br-:46].[C:34](=[O:35])([O-:36])[O-:37].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:16][C:17]1([O:23][c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([Cl:15])[cH:13][cH:14]2)[CH2:2][CH2:3]1.[K+:38].[K+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[CH:1]1([CH2:4][CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][n:11][c:12]([N:20]3[CH2:19][CH2:18][C:17]([CH3:16])([O:23][c:24]4[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]4)[CH2:22][CH2:21]3)[cH:13][cH:14]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 655615656-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamideHCID 671715074-Methyl-4-(2-trifluoromethylphenoxy)piperidine

Product 1

HCID 115396356-[4-Methyl-4-(2-trifluoromethylphenoxy)piperidin-1-YL]pyridazine-3-carboxylic acid (2-cyclopropylethyl)amide

Sources & evidence

ORD record
ord-8f3ce98ff80e4ca5a535e2120973a987
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…