Dichloromethane → 4-[2-fluoro-5-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

HRID 702669Notes

Reaction equation

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

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 31297Methanesulfonyl chloride

HCID 66611414Tert-butyl 4-[[5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-fluoro-3-pyridinyl]methyl]-3-methylpiperazine-1-carboxylate

Product 1

HCID 666112784-[2-fluoro-5-[(2-methyl-4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record: ord-b7d4958e2b9c436c90ef5ca97c77cede
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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