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

HRID 285526Notes

Reaction equation

HRID 285526 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:22]([CH3:23])[NH2:24])[c:19]([Cl:21])[n:20]1.[C:25](#[N:26])[c:27]1[cH:28][cH:29][cH:30][c:31]2[c:32]1[n:33]([CH2:36][C:37](=[O:38])[OH:39])[cH:34][n:35]2.[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8]([NH2:9])=[O:10].[CH:64]([N:65]([CH2:66][CH3:67])[CH:68]([CH3:69])[CH3:70])([CH3:71])[CH3:72].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:22]([CH3:23])[NH:24][C:37]([CH2:36][n:33]2[c:32]3[c:27]([C:25]#[N:26])[cH:28][cH:29][cH:30][c:31]3[n:35][cH:34]2)=[O:38])[c:19]([Cl:21])[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 86621593[1-(6-Tert-butyl-2-chloropyridin-3-yl)ethyl]amine

Product 1

HCID 23633971N-[1-(6-tert-butyl-2-chloropyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide

Sources & evidence

ORD record
ord-32d8d5783bf84f3ea66466025f5f6f7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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