Sodium ion → 2-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]acetamide

HRID 211483Notes

Reaction equation

HRID 211483 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:61][C:62]#[N:63].[Cl:1][c:2]1[c:3]([F:15])[cH:4][cH:5][c:6]2[c:7]1[n:8]([CH2:11][C:12](=[O:13])[OH:14])[cH:9][n:10]2.[NH2:16][CH:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:25]([C:26]#[N:27])([CH3:28])[CH3:29])[cH:23][cH:24]1.[Na+:65].[OH-:64].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[c:3]([F:15])[cH:4][cH:5][c:6]2[c:7]1[n:8]([CH2:11][C:12](=[O:14])[NH:16][CH:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:25]([C:26]#[N:27])([CH3:28])[CH3:29])[cH:23][cH:24]1)[cH:9][n:10]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58298447(7-chloro-6-fluoro-1H-benzimidazol-1-yl)acetic acidHCID 582984592-[4-(1-Aminoethyl)phenyl]-2-methylpropanenitrile

Product 1

HCID 666493022-(7-chloro-6-fluorobenzimidazol-1-yl)-N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]acetamide

Sources & evidence

ORD record
ord-f23f3b0bb88a4ab192728fdd76f87c5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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