Hexafluorophosphate → N-[1-(6-tert-butyl-2-methoxypyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide

HRID 176024Notes

Reaction equation

HRID 176024 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:23]([CH3:24])[NH2:25])[c:19]([O:21][CH3:22])[n:20]1.[C:26](#[N:27])[c:28]1[cH:29][cH:30][cH:31][c:32]2[c:33]1[n:34]([CH2:37][C:38](=[O:39])[OH:40])[cH:35][n:36]2.[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8]([NH2:9])=[O:10].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:23]([CH3:24])[NH:25][C:38]([CH2:37][n:34]2[c:33]3[c:28]([C:26]#[N:27])[cH:29][cH:30][cH:31][c:32]3[n:36][cH:35]2)=[O:39])[c:19]([O:21][CH3:22])[n:20]1

Participants

7

Reactant 6

HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11195002(7-Cyano-1H-benzimidazol-1-yl)acetic acidHCID 122437052-MethylnicotinamideHCID 67499814[1-(6-Tert-butyl-2-methoxypyridin-3-yl)ethyl]amine

Product 1

HCID 23633968N-[1-(6-tert-butyl-2-methoxypyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide

Sources & evidence

ORD record
ord-2650fccd85c54d8ba6be503f651d39ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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