Hydrochloric Acid → Hydrochloric Acid

HRID 2153460Notes

Reaction equation

HRID 2153460 reaction equation
[CH3:40][CH:41]([OH:42])[CH3:43].[ClH:44].[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH:17]2[CH2:18][N:19]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:20][CH:21]2[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH3:36])[CH3:37])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:38])[F:39]>>[ClH:44].[F:1][C:2]([c:3]1[cH:4][c:5]([N:13]([C:14](=[O:15])[N:16]([CH:17]2[CH2:18][NH:19][CH2:20][CH:21]2[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH3:36])[CH3:37])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:38])[F:39]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 178485911HCID 178485911, compound

Product 2

HCID 313Hydrochloric AcidHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-27faa5bb99434726928e6ba5b2f157d1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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