Hydrochloric Acid → Hydrochloric Acid

HRID 1573111Notes

Reaction equation

HRID 1573111 reaction equation
[CH3:41][CH:42]([OH:43])[CH3:44].[ClH:45].[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH:17]2[CH:18]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:19][N:20]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:21][CH2:22]2)[CH3:37])[CH3:38])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40]>>[ClH:45].[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH:17]2[CH:18]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:19][NH:20][CH2:21][CH2:22]2)[CH3:37])[CH3:38])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:39])[F:40]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 178485865HCID 178485865, compound

Product 2

HCID 313Hydrochloric AcidHCID 1234012351-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-cfde402029274f269158dbb3b6fad5b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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