Acetonitrile → 5-Trifluoromethyl-2-{4-[(6-trifluoromethyl-pyridin-3-ylmethyl)-amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl}-benzonitrile

HRID 203446Notes

Reaction equation

HRID 203446 reaction equation
[CH3:45][C:46]#[N:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[CH2:17][CH2:18][NH:19][CH2:20]3)[cH:7][n:8]1)([F:21])[F:22].[F:23][c:24]1[c:25]([C:26]#[N:27])[cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH2:9][NH:10][c:11]2[c:12]3[c:13]([n:14][cH:15][n:16]2)[CH2:17][CH2:18][N:19]([c:24]2[c:25]([C:26]#[N:27])[cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[CH2:20]3)[cH:7][n:8]1)([F:21])[F:22]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 5210162-Fluoro-5-(trifluoromethyl)benzonitrileHCID 59840682N-((6-(trifluoromethyl)pyridin-3-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

Product 1

HCID 250618745-Trifluoromethyl-2-{4-[(6-trifluoromethyl-pyridin-3-ylmethyl)-amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl}-benzonitrile

Sources & evidence

ORD record
ord-08772fa347694da68024439bda1b6526
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…