Hydrochloric Acid → (4,4-Difluorocyclohexyl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone

HRID 682002Notes

Reaction equation

HRID 682002 reaction equation
[C:57](=[O:58])([OH:59])[O-:60].[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][NH:6][CH2:7]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][CH2:74][CH2:75][CH2:76][CH2:77][CH3:78].[ClH:35].[F:24][C:25]1([F:34])[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[OH:33])[CH2:29][CH2:30]1.[Na+:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[n:47]1[c:48]2[c:49]([n:50][cH:51][cH:52][cH:53]2)[n:54]([OH:55])[n:56]1>>[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][N:6]([C:31]([CH:28]2[CH2:27][CH2:26][C:25]([F:24])([F:34])[CH2:30][CH2:29]2)=[O:32])[CH2:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 27791364,4-Difluorocyclohexanecarboxylic acidHCID 687473394-(2-Methylpiperazin-1-yl)-1-phenylpyrido[3,4-d]pyridazine

Product 1

HCID 68729477(4,4-Difluorocyclohexyl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-d8dbf690fc8e4e1d8a7b9cb92ba2e266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…