Sodium ion → N-[1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]ethyl]cyclopropanecarboxamide

HRID 114373Notes

Reaction equation

HRID 114373 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH3:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[F:16][C:17]([c:18]1[cH:19][c:20]([C:28]2([C:33]([F:34])([F:35])[F:36])[CH2:29][NH:30][CH2:31][CH2:32]2)[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:37])[F:38].[Na+:44].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([N:30]2[CH2:29][C:28]([c:20]3[cH:19][c:18]([C:17]([F:16])([F:37])[F:38])[cH:23][c:22]([C:24]([F:25])([F:26])[F:27])[cH:21]3)([C:33]([F:34])([F:35])[F:36])[CH2:32][CH2:31]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 2918968N-(1-(4-Bromophenyl)ethyl)cyclopropanecarboxamideHCID 45749132-Methylpropan-2-olateHCID 532621863-[3,5-Bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidine

Product 1

HCID 53262057N-[1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]ethyl]cyclopropanecarboxamide

Sources & evidence

ORD record
ord-cb95e7f655e84b1988ce71541ca953c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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