Bicarbonate Ion → 4-(6-(1-acetyl-pyrrolidin-2-yl)-2-pyridin-2-yl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzimidazol-5-yloxy)-benzonitrile

HRID 1137036Notes

Reaction equation

HRID 1137036 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[F:35][c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]1.[H-:1].[Na+:2].[Na+:48].[OH:3][c:4]1[c:5]([CH:27]2[N:28]([C:32]([CH3:33])=[O:34])[CH2:29][CH2:30][CH2:31]2)[cH:6][c:7]2[c:8]([n:9][c:10](-[c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:26]1>>[O:3]([c:4]1[c:5]([CH:27]2[N:28]([C:32]([CH3:33])=[O:34])[CH2:29][CH2:30][CH2:31]2)[cH:6][c:7]2[c:8]([n:9][c:10](-[c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:26]1)[c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 13387N-methyl-2-pyrrolidoneHCID 145174-FluorobenzonitrileHCID 166653HydrideHCID 231452771-(2-(6-hydroxy-2-pyridin-2-yl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-benzimidazol-5-yl)-pyrrolidin-1-yl)-ethanone

Product 1

HCID 231458334-(6-(1-acetyl-pyrrolidin-2-yl)-2-pyridin-2-yl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-benzimidazol-5-yloxy)-benzonitrile

Sources & evidence

ORD record
ord-203772fb5beb487281ec54082dc312ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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