Acetate → 4-(5-amino-2-methylphenyl)-8-(2,6-difluorophenyl)-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

HRID 2123775Notes

Reaction equation

HRID 2123775 reaction equation
[Ba+2:20].[C:50]([O-:51])(=[O:52])[CH3:53].[C:54]([O-:55])(=[O:56])[CH3:57].[Cl:22][c:23]1[c:24]2[c:25]([n:26][c:27]([S:29][CH3:30])[n:28]1)[n:31](-[c:36]1[c:37]([F:43])[cH:38][cH:39][cH:40][c:41]1[F:42])[c:32](=[O:35])[cH:33][cH:34]2.[I:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[CH3:9].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:19].[OH-:21].[OH2:10].[OH2:11].[OH2:12].[OH2:13].[OH2:14].[OH2:15].[OH2:16].[OH2:17].[OH2:18].[Pd+2:58]>>[c:2]1(-[c:23]2[c:24]3[c:25]([n:26][c:27]([S:29][CH3:30])[n:28]2)[n:31](-[c:36]2[c:37]([F:43])[cH:38][cH:39][cH:40][c:41]2[F:42])[c:32](=[O:35])[cH:33][cH:34]3)[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[CH3:9]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 961Hydroxide2×HCID 962Water9×HCID 312751,4-DioxaneHCID 104810Barium ionHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1188893-Iodo-p-toluidineHCID 119515134-Chloro-2-methylsulfanyl-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one

Product 1

HCID 592126794-(5-amino-2-methylphenyl)-8-(2,6-difluorophenyl)-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

Sources & evidence

ORD record
ord-1e659c8751f64ba3b4faf31b917e8398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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