p-Toluenesulfonic acid → 4-[4-Fluoro-2-(tetrahydro-2H-pyran-4-yloxy)-phenylamino]-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester

HRID 2342046Notes

Reaction equation

HRID 2342046 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[Cl:18])[s:19]2)[CH2:20][CH2:21]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[F:22][c:23]1[cH:24][c:25]([O:30][CH:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:26]([NH2:27])[cH:28][cH:29]1.[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:27][c:26]3[c:25]([O:30][CH:31]4[CH2:32][CH2:33][O:34][CH2:35][CH2:36]4)[cH:24][c:23]([F:22])[cH:29][cH:28]3)[s:19]2)[CH2:20][CH2:21]1

Participants

6

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 49788563tert-Butyl 4-chloro-5,6-dihydropyrido(4',3':4,5)thieno(2,3-d)pyrimidine-7(8H)-carboxylateHCID 584130794-Fluoro-2-(oxan-4-yloxy)aniline

Product 1

HCID 696691144-[4-Fluoro-2-(tetrahydro-2H-pyran-4-yloxy)-phenylamino]-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-75e743ab9de845118328153edfe72229
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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