Acetic Acid → 4-[(2-Fluoro-4-methylphenyl)amino]-6-(1-isopropyl-1,2,3,6-tetrahydropyridin-4-yl)-7-methoxycinnoline-3-carbonitrile

HRID 88441Notes

Reaction equation

HRID 88441 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:30][C:31]([CH3:32])=[O:33].[CH3:34][C:35](=[O:36])[OH:37].[Cl:52][CH:53]([Cl:54])[CH3:55].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:28]#[N:29])[n:12][n:13][c:14]3[cH:15][c:16]([O:26][CH3:27])[c:17]([C:20]4=[CH:25][CH2:24][NH:23][CH2:22][CH2:21]4)[cH:18][c:19]23)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[Na+:51]>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:28]#[N:29])[n:12][n:13][c:14]3[cH:15][c:16]([O:26][CH3:27])[c:17]([C:20]4=[CH:25][CH2:24][N:23]([CH:31]([CH3:30])[CH3:32])[CH2:22][CH2:21]4)[cH:18][c:19]23)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 670842344-(2-Fluoro-4-methylphenylamino)-7-methoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)cinnoline-3-carbonitrile

Product 1

HCID 670842864-[(2-Fluoro-4-methylphenyl)amino]-6-(1-isopropyl-1,2,3,6-tetrahydropyridin-4-yl)-7-methoxycinnoline-3-carbonitrile

Sources & evidence

ORD record
ord-41fcc21ea10b4250829e2965a1337508
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…