Bromobenzene → 7-(Phenyl)-N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

HRID 693719Notes

Reaction equation

HRID 693719 reaction equation
[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[C:8](=[O:9])([O-:10])[O-:11].[Cs+:12].[Cs+:13].[F:14][C:15]([c:16]1[cH:17][cH:18][c:19]([NH:22][c:23]2[c:24]3[c:25]([n:26][cH:27][n:28]2)[CH2:29][NH:30][CH2:31][CH2:32]3)[cH:20][cH:21]1)([F:33])[F:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[c:2]1([N:30]2[CH2:29][c:25]3[c:24]([c:23]([NH:22][c:19]4[cH:18][cH:17][c:16]([C:15]([F:14])([F:33])[F:34])[cH:21][cH:20]4)[n:28][cH:27][n:26]3)[CH2:32][CH2:31]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 7961BromobenzeneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 59021462(5,6,7,8-Tetrahydro-pyrido[3,4-d]pyrimidin-4-yl)-(4-trifluoromethylphenyl)amine

Product 1

HCID 120040067-(Phenyl)-N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-967952f8946349808c078a869f9f1c4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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