Water → N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide

HRID 164194Notes

Reaction equation

HRID 164194 reaction equation
[Br:1][CH2:2][c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([N:12]([S:13](=[O:14])(=[O:15])[CH3:16])[CH3:17])[n:7][c:8]1[CH:9]([CH3:10])[CH3:11].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH2:48].[c:32]1([PH2:38]([O:39][CH2:40][CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:2]([c:3]1[c:4](-[c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)[n:5][c:6]([N:12]([S:13](=[O:14])(=[O:15])[CH3:16])[CH3:17])[n:7][c:8]1[CH:9]([CH3:10])[CH3:11])[P:38]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)(=[O:39])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 16638881N-(5-(Bromomethyl)-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl)-N-methylmethanesulfonamideHCID 178476774HCID 178476774, compound

Product 1

HCID 9937035N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide

Sources & evidence

ORD record
ord-b9e7ca8927c449788a1aa64718815607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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