Hydrochloric Acid → 1,3-dihydro-1-{trans-4-[1-piperazinyl]-1-cyclohexyl}-2H-benzimidazol-2-one

HRID 176707

Reaction equation

[C:1]([C:2](=[O:3])[N:7]1[CH2:8][CH2:9][N:10]([CH:13]2[CH2:14][CH2:15][CH:16]([n:19]3[c:20](=[O:28])[nH:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[CH2:17][CH2:18]2)[CH2:11][CH2:12]1)([CH3:4])([CH3:5])[CH3:6].[ClH:31].[Na+:30].[OH-:29]>>[NH:7]1[CH2:8][CH2:9][N:10]([CH:13]2[CH2:14][CH2:15][CH:16]([n:19]3[c:20](=[O:28])[nH:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[CH2:17][CH2:18]2)[CH2:11][CH2:12]1

Participants

Reactant 4

HCID 313Hydrochloric Acid

HCID 923Sodium ion

HCID 961Hydroxide

HCID 214716671,3-dihydro-1-{cis-4-[4-(tert-butylcarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-one

Product 1

HCID 214715691,3-dihydro-1-{trans-4-[1-piperazinyl]-1-cyclohexyl}-2H-benzimidazol-2-one

Sources & evidence

ORD record: ord-4cf5cfc72a51438dadb9cc66d15c98d6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Linked notes

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