Dichloromethane → 6-(2-fluoro-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amine

HRID 2314507Notes

Reaction equation

HRID 2314507 reaction equation
[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][S:63]([Cl:64])(=[O:65])=[O:66].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]([CH2:30][N:31]4[CH2:32][CH2:33][N:34]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[cH:53][cH:54]1.[Cl:67][CH2:68][Cl:69].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[cH:17][c:18](-[c:23]3[cH:24][c:25]([CH2:30][N:31]4[CH2:32][CH2:33][N:34]([S:63]([CH3:62])(=[O:65])=[O:66])[CH2:35][CH2:36]4)[cH:26][n:27][c:28]3[F:29])[n:19][c:20]([CH3:22])[n:21]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[cH:53][cH:54]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 66600288Tert-butyl 4-((5-(6-(bis(4-methoxybenzyl)amino)-2-methylpyrimidin-4-yl)-6-fluoropyridin-3-yl)methyl)piperazine-1-carboxylate

Product 1

HCID 666001976-(2-fluoro-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amine

Sources & evidence

ORD record
ord-05d5a8ff60db4e80a5bae2bfaaef38b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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