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Hydrochloric Acid → Hydrochloric Acid

HRID 90101
Notes
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Reaction equation

HRID 90101 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[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[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][NH:22][CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34].[I:35][CH2:36][C:37](=[O:38])[NH2:39].[K+:44].[K+:45].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[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[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][N:22]([CH2:36][C:37](=[O:38])[NH2:39])[CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 3727IodoacetamideHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 1234012351-[3,5-Bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea

Product 2

HCID 313Hydrochloric AcidHCID 1234212302-[4-[[[3,5-Bis(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-(4-fluorophenyl)piperidin-1-yl]acetamide

Sources & evidence

ORD record
ord-bf93b5c6072e4b1887bc7e4544b81cdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes