Chloride → [4-Amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-hydroxy-5-methoxy-phenyl)-methanone

HRID 691340Notes

Reaction equation

HRID 691340 reaction equation
[Al+3:34].[CH2:37]([Cl:38])[Cl:39].[Cl-:33].[Cl-:35].[Cl-:36].[NH2:1][c:2]1[n:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:21])[c:12]([F:20])[cH:13][c:14]([O:18][CH3:19])[c:15]1[O:16][CH3:17]>>[NH2:1][c:2]1[n:3][c:4]([NH:22][CH:23]2[CH2:24][CH2:25][N:26]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:27][CH2:28]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([F:21])[c:12]([F:20])[cH:13][c:14]([O:18][CH3:19])[c:15]1[OH:16]

Participants

5

Reactant 4

HCID 312Chloride3×HCID 6344DichloromethaneHCID 104727Aluminum CationHCID 58777551HCID 58777551, compound

Product 1

HCID 58777669[4-Amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-hydroxy-5-methoxy-phenyl)-methanone

Sources & evidence

ORD record
ord-4589675144434be39d11aaa58285f96a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…