Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 123543

Reaction equation

HRID 123543 reaction equation
[CH3:34][C:35]1([CH3:46])[C:36](=[O:45])[N:37]([CH2:41][C:42](=[O:43])[OH:44])[C:38](=[O:40])[O:39]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][NH:21][CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH2:20][N:21]([C:42]([CH2:41][N:37]3[C:36](=[O:45])[C:35]([CH3:34])([CH3:46])[O:39][C:38]3=[O:40])=[O:43])[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:31])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:32])[F:33]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 67233234HCID 67233234, compoundHCID 1237750161-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 1232248921-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-8ef7701aaa344d88a56c98e10df587b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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