Chloride → {4-[6-(4-Methanesulfonyl-phenylamino)-5-nitro-pyrimidin-4-yloxy]-piperidin-1-yl}-pyridin-2-yl-methanone

HRID 190479Notes

Reaction equation

HRID 190479 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:17]2[N+:18](=[O:19])[O-:20])[cH:9][cH:10]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[Cl-:37].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:38][C:39]([c:40]1[n:41][cH:42][cH:43][cH:44][cH:45]1)=[O:46].[S:47]([Cl:48])([Cl:49])=[O:50].[n:28]1[c:29]([C:34](=[O:35])[Cl:36])[cH:30][cH:31][cH:32][cH:33]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[n:13][cH:14][n:15][c:16]([O:21][CH:22]3[CH2:23][CH2:24][N:25]([C:34]([c:29]4[n:28][cH:33][cH:32][cH:31][cH:30]4)=[O:35])[CH2:26][CH2:27]3)[c:17]2[N+:18](=[O:19])[O-:20])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 1018Picolinic acidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 135034Pyridine-2-carbonyl chlorideHCID 11257886(4-Methanesulfonyl-phenyl)-[5-nitro-6-(piperidin-4-yloxy)-pyrimidin-4-yl]-amine

Product 1

HCID 11477518{4-[6-(4-Methanesulfonyl-phenylamino)-5-nitro-pyrimidin-4-yloxy]-piperidin-1-yl}-pyridin-2-yl-methanone

Sources & evidence

ORD record
ord-a5227ae816384d399de8131216b06569
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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