Methane → 3,4-Dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone

HRID 697824Notes

Reaction equation

HRID 697824 reaction equation
[C:37].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[I-:31].[K+:30].[Pd:38].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36].[n:1]1[cH:2][c:3]([CH:7]=[N:8][N:9]2[C:10](=[O:29])[NH:11][c:12]3[cH:13][cH:14][c:15]([C:19]([C:20]([F:21])([F:22])[F:23])([C:24]([F:25])([F:26])[F:27])[F:28])[cH:16][c:17]3[CH2:18]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([CH2:7][NH:8][N:9]2[C:10](=[O:29])[NH:11][c:12]3[cH:13][cH:14][c:15]([C:19]([C:20]([F:21])([F:22])[F:23])([C:24]([F:25])([F:26])[F:27])[F:28])[cH:16][c:17]3[CH2:18]2)[cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 297MethaneHCID 813Potassium CationHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 23938PalladiumHCID 30165Iodide IonHCID 730165886-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-3-{(E)-[(pyridin-3-yl)methylidene]amino}-3,4-dihydroquinazolin-2(1H)-one

Product 1

HCID 231109103,4-Dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone

Sources & evidence

ORD record
ord-11803a816c2b4c4d9365b47f880a96a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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