Hydrochloric Acid → Hydrochloric Acid

HRID 2144335Notes

Reaction equation

HRID 2144335 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][O:41][CH2:42]1.[CH3:27][CH2:28][O:29][CH2:30][CH3:31].[CH3:32][OH:33].[Cl:34][CH2:35][Cl:36].[ClH:26].[F:1][c:2]1[cH:3][c:4]([CH3:25])[cH:5][c:6]2[n:7]([CH:12]3[CH2:13][CH2:14][N:15]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:16][CH2:17]3)[c:8](=[O:11])[nH:9][c:10]12>>[ClH:26].[F:1][c:2]1[cH:3][c:4]([CH3:25])[cH:5][c:6]2[n:7]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[c:8](=[O:11])[nH:9][c:10]12

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 596832531,1-Dimethylethyl 4-(4-fluoro-6-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinecarboxylate

Product 2

HCID 313Hydrochloric AcidHCID 596832644-Fluoro-6-methyl-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-419d18c6171a4fa19a40babacbf0270f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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