Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

HRID 149768

Reaction equation

HRID 149768 reaction equation
[CH2:42]([CH3:43])[O:44][CH2:45][C:46](=[O:47])[OH:48].[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][N:21]([C:31](=[O:32])[CH:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:39])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:40])[F:41]>>[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:31](=[O:32])[CH:33]3[CH2:34][CH2:35][N:36]([C:46]([CH2:45][O:44][CH2:42][CH3:43])=[O:47])[CH2:37][CH2:38]3)[CH2:22][CH:23]2[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH3:39])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:40])[F:41]

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 12301Ethoxyacetic acidHCID 1235880001-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)-1-(piperidine-4-carbonyl)pyrrolidin-3-yl]-1,3-dimethylurea

Product 1

HCID 1236186341-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea

Sources & evidence

ORD record
ord-24e0bb2f61f54f32951484279781a25c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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