Acetate → N-(3-(2-(6-(4-Ethylpiperazin-1-yl)pyridin-3-ylamino)thieno[3,2-d]pyrimidin-7-yl)phenyl)methanesulfonamide

HRID 2350783Notes

Reaction equation

HRID 2350783 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH2:28]([CH3:29])[N:30]1[CH2:31][CH2:32][N:33]([c:36]2[cH:37][cH:38][c:39]([NH2:42])[cH:40][n:41]2)[CH2:34][CH2:35]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([NH:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:14][cH:15][cH:16]1)[cH:9][s:10]2.[Cs+:26].[Cs+:27].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[Pd+2:49]>>[c:2]1([NH:42][c:39]2[cH:38][cH:37][c:36]([N:33]3[CH2:32][CH2:31][N:30]([CH2:28][CH3:29])[CH2:35][CH2:34]3)[n:41][cH:40]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([NH:17][S:18](=[O:19])(=[O:20])[CH3:21])[cH:14][cH:15][cH:16]1)[cH:9][s:10]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 91616746-(4-Ethylpiperazin-1-yl)pyridin-3-amineHCID 86673215N-(3-(2-chlorothieno[3,2-d]pyrimidin-7-yl)phenyl)methanesulfonamide

Product 1

HCID 51347359N-(3-(2-(6-(4-Ethylpiperazin-1-yl)pyridin-3-ylamino)thieno[3,2-d]pyrimidin-7-yl)phenyl)methanesulfonamide

Sources & evidence

ORD record
ord-562b90964cb34b23bac25156b577a52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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