N,N-Dimethylglycine → 2-dimethylamino-1-{4-[4-fluoro-2-(tetrahydro-2H-pyran-4-yloxy)-phenylamino]-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl}-ethanone

HRID 667125Notes

Reaction equation

HRID 667125 reaction equation
[CH3:34][N:35]([CH3:36])[CH2:37][C:38]([OH:39])=[O:40].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[F:41][c:42]1[cH:43][c:44]([O:62][CH:63]2[CH2:64][CH2:65][O:66][CH2:67][CH2:68]2)[c:45]([NH:48][c:49]2[c:50]3[c:51]([n:52][cH:53][n:54]2)[s:55][c:56]2[c:57]3[CH2:58][CH2:59][NH:60][CH2:61]2)[cH:46][cH:47]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:34][N:35]([CH3:36])[CH2:37][C:38](=[O:40])[N:60]1[CH2:59][CH2:58][c:57]2[c:50]3[c:49]([NH:48][c:45]4[c:44]([O:62][CH:63]5[CH2:64][CH2:65][O:66][CH2:67][CH2:68]5)[cH:43][c:42]([F:41])[cH:47][cH:46]4)[n:54][cH:53][n:52][c:51]3[s:55][c:56]2[CH2:61]1

Participants

8

Reactant 7

HCID 673N,N-DimethylglycineHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 46182217[4-fluoro-2-(tetrahydro-2H-pyran-4-yloxy)-phenyl]-(5,6,7,8-tetrahydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-amine

Product 1

HCID 461822182-dimethylamino-1-{4-[4-fluoro-2-(tetrahydro-2H-pyran-4-yloxy)-phenylamino]-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl}-ethanone

Sources & evidence

ORD record
ord-8cc985131b704abbbafa9002f23c406a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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