4-Fluorobenzylamine → N(8)-(4-Fluoro-benzyl)-N(2)-[3-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

HRID 166576Notes

Reaction equation

HRID 166576 reaction equation
[Br:1][c:2]1[c:3]2[n:4]([n:5][c:6]([Cl:7])[n:8]2)[cH:9][cH:10][cH:11]1.[CH3:40][N:41]1[CH2:42][CH2:43][N:44]([c:47]2[cH:48][c:49]([NH2:50])[cH:51][cH:52][cH:53]2)[CH2:45][CH2:46]1.[Cl:21][c:22]1[n:23][n:24]2[c:25]([c:26]([NH:30][CH2:31][c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[cH:27][cH:28][cH:29]2)[n:39]1.[F:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][NH2:18])[cH:19][cH:20]1>>[c:22]1([NH:50][c:49]2[cH:48][c:47]([N:44]3[CH2:43][CH2:42][N:41]([CH3:40])[CH2:46][CH2:45]3)[cH:53][cH:52][cH:51]2)[n:23][n:24]2[c:25]([c:26]([NH:30][CH2:31][c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[cH:27][cH:28][cH:29]2)[n:39]1

Participants

5

Reactant 4

HCID 673264-FluorobenzylamineHCID 115646133-(4-Methylpiperazin-1-yl)anilineHCID 674813708-Bromo-2-chloro-[1,2,4]triazolo[1,5-a]pyridineHCID 67481441(2-Chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-(4-fluoro-benzyl)-amine

Product 1

HCID 59612491N(8)-(4-Fluoro-benzyl)-N(2)-[3-(4-methyl-piperazin-1-yl)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

Sources & evidence

ORD record
ord-cd3bc8669b7b4ff1b731b5cce643208c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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