Dichloromethane → N,N-bis(4-methoxybenzyl)-4-(2-(6-methoxypyridin-3-ylamino)-5-((1-(methylsulfonyl)piperidin-4-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

HRID 1548423Notes

Reaction equation

[CH3:66][S:67]([Cl:68])(=[O:69])=[O:70].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][N:15]([c:16]2[n:17][c:18](-[c:23]3[cH:24][c:25]([CH2:38][CH:39]4[CH2:40][CH2:41][N:42]([C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:43][CH2:44]4)[cH:26][n:27][c:28]3[NH:29][c:30]3[cH:31][n:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[n:19][c:20]([CH3:22])[n:21]2)[CH2:52][c:53]2[cH:54][cH:55][c:56]([O:59][CH3:60])[cH:57][cH:58]2)[cH:61][cH:62]1.[Cl:63][CH2:64][Cl:65].[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[n:17][c:18](-[c:23]3[cH:24][c:25]([CH2:38][CH:39]4[CH2:40][CH2:41][N:42]([S:67]([CH3:66])(=[O:69])=[O:70])[CH2:43][CH2:44]4)[cH:26][n:27][c:28]3[NH:29][c:30]3[cH:31][n:32][c:33]([O:36][CH3:37])[cH:34][cH:35]3)[n:19][c:20]([CH3:22])[n:21]2)[CH2:52][c:53]2[cH:54][cH:55][c:56]([O:59][CH3:60])[cH:57][cH:58]2)[cH:61][cH:62]1

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 31297Methanesulfonyl chloride

HCID 60155885Tert-butyl 4-((5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(6-methoxypyridin-3-ylamino)pyridin-3-yl)methyl)piperidine-1-carboxylate

Product 1

HCID 60155985N,N-bis(4-methoxybenzyl)-4-(2-(6-methoxypyridin-3-ylamino)-5-((1-(methylsulfonyl)piperidin-4-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record: ord-dc095b6ce4bb455bb7149d5b1be0de1d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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