Acetate → Tert-butyl 4-(1-(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoropyridin-3-yl)ethyl)piperazine-1-carboxylate

HRID 1148766Notes

Reaction equation

HRID 1148766 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18]([B:23]([OH:24])[OH:25])[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1.[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:54][C:55](=[O:56])[O-:57].[Cl:26][c:27]1[n:28][c:29]([N:34]([CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)[CH2:44][c:45]2[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]2)[n:30][c:31]([CH3:33])[n:32]1.[K+:53].[OH2:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH:14]([CH3:15])[c:16]2[cH:17][c:18](-[c:27]3[n:28][c:29]([N:34]([CH2:35][c:36]4[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]4)[CH2:44][c:45]4[cH:46][cH:47][c:48]([O:51][CH3:52])[cH:49][cH:50]4)[n:30][c:31]([CH3:33])[n:32]3)[c:19]([F:22])[n:20][cH:21]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 312751,4-DioxaneHCID 595482094-chloro-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amineHCID 666004735-(1-(4-(Tert-butoxycarbonyl)piperazin-1-yl)ethyl)-2-fluoropyridin-3-ylboronic acid

Product 1

HCID 66611395Tert-butyl 4-(1-(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-fluoropyridin-3-yl)ethyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-6cdeaaab483b444584eafc169cac2efd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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