Acetate → 4-(2-fluoro-5-(1-(4-(methylthio)phenyl)ethyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

HRID 291737

Reaction equation

HRID 291737 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:49][C:50](=[O:51])[O-:52].[Cl:1][c:2]1[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1.[F:28][c:29]1[n:30][cH:31][c:32]([CH:38]([CH3:39])[c:40]2[cH:41][cH:42][c:43]([S:46][CH3:47])[cH:44][cH:45]2)[cH:33][c:34]1[B:35]([OH:36])[OH:37].[K+:48]>>[c:2]1(-[c:34]2[c:29]([F:28])[n:30][cH:31][c:32]([CH:38]([CH3:39])[c:40]3[cH:41][cH:42][c:43]([S:46][CH3:47])[cH:44][cH:45]3)[cH:33]2)[n:3][c:4]([N:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]2)[CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

6

Reactant 5

HCID 175AcetateHCID 813Potassium CationHCID 312751,4-DioxaneHCID 595482094-chloro-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amineHCID 666000612-Fluoro-5-(1-(4-(methylthio)phenyl)ethyl)pyridin-3-ylboronic acid

Product 1

HCID 666112674-(2-fluoro-5-(1-(4-(methylthio)phenyl)ethyl)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-aefbe31206ee4fbf830757bf31f597dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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