Potassium Cation → 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N,N-diethyl-4-methylbenzamide

HRID 151980Notes

Reaction equation

HRID 151980 reaction equation
[CH2:23]([CH3:24])[N:25]([C:26]([c:27]1[cH:28][c:29]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[c:30]([CH3:33])[cH:31][cH:32]1)=[O:43])[CH2:44][CH3:45].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[N:10]([c:15]1[c:16]([F:22])[cH:17][cH:18][cH:19][c:20]1[F:21])[C:11](=[O:14])[NH:12][CH2:13]2.[K+:46].[K+:47].[O-:48][C:49]([O-:50])=[O:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:58]>>[c:2]1(-[c:29]2[cH:28][c:27]([C:26]([N:25]([CH2:23][CH3:24])[CH2:44][CH3:45])=[O:43])[cH:32][cH:31][c:30]2[CH3:33])[c:3]2[c:4]([n:5][c:6]([S:8][CH3:9])[n:7]1)[N:10]([c:15]1[c:16]([F:22])[cH:17][cH:18][cH:19][c:20]1[F:21])[C:11](=[O:14])[NH:12][CH2:13]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 575305005-Chloro-1-(2,6-difluorophenyl)-7-(methylthio)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-oneHCID 68587202N,N-diethyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Product 1

HCID 592079853-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-N,N-diethyl-4-methylbenzamide

Sources & evidence

ORD record
ord-f1986041e3db4fb5a632182ab88fdab5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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