Trifluoroacetic acid → Trifluoroacetic acid

HRID 142308Notes

Reaction equation

HRID 142308 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]([CH3:40])[n:12][c:13](-[c:15]3[c:16]([NH:31][c:32]4[cH:33][n:34][c:35]([O:38][CH3:39])[cH:36][cH:37]4)[n:17][cH:18][c:19]([CH:21]([CH3:22])[N:23]4[CH2:24][CH:25]([S:27](=[O:28])(=[O:29])[CH3:30])[CH2:26]4)[cH:20]3)[n:14]2)[CH2:41][c:42]2[cH:43][cH:44][c:45]([O:46][CH3:47])[cH:48][cH:49]2)[cH:50][cH:51]1.[F:60][C:61]([C:62](=[O:63])[OH:64])([F:65])[F:66].[OH:52][S:53]([C:54]([F:55])([F:56])[F:57])(=[O:58])=[O:59]>>[F:60][C:61]([C:62](=[O:63])[OH:64])([F:65])[F:66].[NH2:8][c:9]1[n:10][c:11]([CH3:40])[n:12][c:13](-[c:15]2[c:16]([NH:31][c:32]3[cH:33][n:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[n:17][cH:18][c:19]([CH:21]([CH3:22])[N:23]3[CH2:24][CH:25]([S:27](=[O:28])(=[O:29])[CH3:30])[CH2:26]3)[cH:20]2)[n:14]1

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 66600253N,N-bis(4-methoxybenzyl)-4-(2-(6-methoxypyridin-3-ylamino)-5-(1-(3-(methylsulfonyl)azetidin-1-yl)ethyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

Product 2

HCID 6422Trifluoroacetic acidHCID 595483504-[2-[(6-Methoxy-3-pyridinyl)amino]-5-[1-(3-methylsulfonylazetidin-1-yl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-33e4433d4f5f406fba096e007728a030
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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