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

HRID 94375Notes

Reaction equation

HRID 94375 reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][c:32]([NH2:33])[cH:34][cH:35][cH:36]2)[CH2:28][CH2:29]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[P:57]([CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[CH:64]2[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]2)[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:22]1>>[c:2]1([NH:33][c:32]2[cH:31][c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]3)[cH:36][cH:35][cH:34]2)[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:22]1

Participants

4

Reactant 3

HCID 115646133-(4-Methylpiperazin-1-yl)anilineHCID 249469872,2'-Bis(dicyclohexylphosphino)-1,1'-biphenylHCID 67479011(2-Chloro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-(2-methanesulfonyl-benzyl)-amine

Product 1

HCID 67481402N(8)-(2-Methanesulfonyl-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-2a241ab6b72f4ac191e99ac9d6a9b968
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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