Dimethylformamide → Diethyl(2-{4-[(3-chloro-4-fluorophenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl}-2-oxoethyl)phosphonate

HRID 214322Notes

Reaction equation

HRID 214322 reaction equation
[B-:44]([F:45])([F:46])([F:47])[F:48].[CH2:23]([CH3:24])[O:25][P:26](=[O:27])([O:28][CH2:29][CH3:30])[CH2:31][C:32](=[O:33])[OH:34].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][CH2:20][NH:21][CH2:22]2)[cH:5][cH:6][c:7]1[F:8].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][CH2:20][N:21]([C:32]([CH2:31][P:26]([O:25][CH2:23][CH3:24])(=[O:27])[O:28][CH2:29][CH3:30])=[O:33])[CH2:22]2)[cH:5][cH:6][c:7]1[F:8]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 36704(Diethoxyphosphinyl)acetic acidHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 58116889(3-Chloro-4-fluoro-phenyl)-(5,6,7,8-tetrahydro-9-thia-1,3,7-triaza-fluoren-4-yl)-amine

Product 1

HCID 58116908Diethyl(2-{4-[(3-chloro-4-fluorophenyl)amino]-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl}-2-oxoethyl)phosphonate

Sources & evidence

ORD record
ord-f6f37989acbd4598a3f2cb1862389df3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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