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Carbon Dioxide → methyl 3-(6-(cyclohexyl(2-methyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)methylamino)nicotinamido)propanoate

HRID 2325020
Notes
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Reaction equation

HRID 2325020 reaction equation
[C:43](=[O:44])=[O:45].[CH3:46][CH2:47][OH:48].[CH:1]1([N:7]([c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]2)[CH2:18][c:19]2[c:20]([CH3:34])[cH:21][c:22](-[n:25]3[n:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:35].[NH2:36][CH2:37][CH2:38][C:39](=[O:40])[O:41][CH3:42]>>[CH:1]1([N:7]([c:8]2[n:9][cH:10][c:11]([C:12](=[O:13])[NH:36][CH2:37][CH2:38][C:39](=[O:40])[O:41][CH3:42])[cH:16][cH:17]2)[CH2:18][c:19]2[c:20]([CH3:34])[cH:21][c:22](-[n:25]3[n:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]3)[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 280Carbon DioxideHCID 313Hydrochloric AcidHCID 702EthanolHCID 192794Methyl beta-alanateHCID 86669088(+/-)-methyl 6-(cyclohexyl(2-methyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)methylamino)nicotinate

Product 1

HCID 68157932
methyl 3-(6-(cyclohexyl(2-methyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)methylamino)nicotinamido)propanoate

Sources & evidence

ORD record
ord-01266d1d124349629211d224ee4eb67f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes