Hydrochloric Acid → tert-butyl N-[3-propan-2-yl-3-[4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

HRID 2126547Notes

Reaction equation

HRID 2126547 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][C:30]([C:33](=[O:34])[OH:35])([CH:36]([CH3:37])[CH3:38])[CH2:31][CH2:32]1.[CH2:73]([Cl:74])[Cl:75].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[ClH:1].[ClH:2].[ClH:3].[F:4][C:5]([c:6]1[cH:7][c:8]([N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:9][n:10][cH:11]1)([F:18])[F:19].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[F:4][C:5]([c:6]1[cH:7][c:8]([N:12]2[CH2:13][CH2:14][N:15]([C:33]([C:30]3([CH:36]([CH3:37])[CH3:38])[CH2:29][CH:28]([NH:27][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]3)=[O:34])[CH2:16][CH2:17]2)[cH:9][n:10][cH:11]1)([F:18])[F:19]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 235335173-(Tert-butoxycarbonylamino)-1-isopropylcyclopentanecarboxylic acidHCID 598335681-(5-(Trifluoromethyl)pyridin-3-yl)piperazine

Product 1

HCID 72573869tert-butyl N-[3-propan-2-yl-3-[4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

Sources & evidence

ORD record
ord-9823fa08f6ec4dd596fa72348423e120
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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