Acetate → 4-(5-(Benzyloxy)-2-fluoropyridin-3-YL)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

HRID 178637

Reaction equation

HRID 178637 reaction equation
[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[O:35][c:36]1[cH:37][c:38]([B:43]([OH:44])[OH:45])[c:39]([F:42])[n:40][cH:41]1.[CH3:47][C:48](=[O:49])[O-:50].[CH3:51][CH2:52][OH:53].[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.[K+:46].[OH2:54]>>[c:2]1(-[c:38]2[cH:37][c:36]([O:35][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:41][n:40][c:39]2[F:42])[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

7

Reactant 6

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 595482094-chloro-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amineHCID 665999925-(Benzyloxy)-2-fluoropyridin-3-ylboronic acid

Product 1

HCID 665999874-(5-(Benzyloxy)-2-fluoropyridin-3-YL)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-3bd11c1b819b40ebb23c92ac0de70c54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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