Acetone → 4-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylsulphonyl)anilino]pyrimidine

HRID 189586

Reaction equation

HRID 189586 reaction equation
[CH3:43][OH:44].[CH3:45][C:46](=[O:47])[CH3:48].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([CH3:32])[n:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([S:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:20][cH:21]2)[n:12][cH:13][cH:14]1.[Na+:40].[Na+:41].[OH2:42].[S:33](=[O:34])([S:35]([O-:36])=[O:37])([O-:38])=[O:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([CH3:32])[n:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([S:22]([CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)(=[O:34])=[O:42])[cH:20][cH:21]2)[n:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 159940DisulfiteHCID 693106194-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylthio)anilino]pyrimidine

Product 1

HCID 445890914-(1-Isopropyl-2-methylimidazol-5-yl)-2-[4-(3-morpholinopropylsulphonyl)anilino]pyrimidine

Sources & evidence

ORD record
ord-594b5ab55a83463eb126879e1cf206bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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