Methanol → 2-(1-(2-(4-(1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl)phenyl)ethyl)-4-piperidinyl)-1-(2-ethoxyethyl)-1H-benzimidazole

HRID 293729Notes

Reaction equation

HRID 293729 reaction equation
[CH2:26]([CH3:27])[O:28][CH2:29][CH2:30][n:31]1[c:32]([CH:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[n:33][c:34]2[c:35]1[cH:36][cH:37][cH:38][cH:39]2.[CH3:46][OH:47].[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([C:10]([CH3:11])([CH3:12])[C:13]2=[N:17][C:16]([CH3:18])([CH3:19])[CH2:15][O:14]2)[cH:8][cH:9]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([C:10]([CH3:11])([CH3:12])[C:13]2=[N:17][C:16]([CH3:18])([CH3:19])[CH2:15][O:14]2)[cH:8][cH:9]1)[N:43]1[CH2:42][CH2:41][CH:40]([c:32]2[n:31]([CH2:30][CH2:29][O:28][CH2:26][CH3:27])[c:35]3[c:34]([n:33]2)[cH:39][cH:38][cH:37][cH:36]3)[CH2:45][CH2:44]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 138083611-(2-ethoxyethyl)-2-(piperidin-4-yl)-1H-benzo[d]imidazoleHCID 668698762-{1-[4-(2-Chloro-ethyl)-phenyl]-1-methyl-ethyl}-4,4-dimethyl-4,5-dihydro-oxazole

Product 1

HCID 404670312-(1-(2-(4-(1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl)phenyl)ethyl)-4-piperidinyl)-1-(2-ethoxyethyl)-1H-benzimidazole

Sources & evidence

ORD record
ord-8838cb09463e40b1916ffb7f9e7439ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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