Hydrochloric Acid → Hydrochloric Acid

HRID 1136047Notes

Reaction equation

HRID 1136047 reaction equation
[CH3:48][CH:49]([OH:50])[CH3:51].[ClH:52].[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])[CH:31]3[CH2:32][CH2:33][N:34]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]3)[CH2:20][CH:21]2[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH3:44])[CH3:45])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:46])[F:47]>>[ClH:52].[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])[CH:31]3[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]3)[CH2:20][CH:21]2[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[CH3:44])[CH3:45])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:46])[F:47]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 178485889HCID 178485889, compound

Product 2

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

Sources & evidence

ORD record
ord-cd524e61d54c46cc9ed0a6851ff96b4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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