Hydrochloric Acid → 2-(4-Chloro-3-methoxy-phenyl)-8-[2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-2,8-diaza-spiro[4.5]decan-1-one

HRID 1235044Notes

Reaction equation

HRID 1235044 reaction equation
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13][N:14]([c:17]3[cH:18][c:19]([O:24][CH3:25])[c:20]([Cl:23])[cH:21][cH:22]3)[C:15]2=[O:16])[CH2:26][CH2:27]1)([CH3:3])([CH3:4])[CH3:5].[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[Cl:29][c:30]1[c:31]([C:40]([F:41])([F:42])[F:43])[n:32][n:33]([CH2:36][C:37]([OH:38])=[O:39])[c:34]1[CH3:35].[ClH:28].[O:68]1[CH2:69][CH2:70][O:71][CH2:72][CH2:73]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[C:6](=[O:7])([N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13][N:14]([c:17]3[cH:18][c:19]([O:24][CH3:25])[c:20]([Cl:23])[cH:21][cH:22]3)[C:15]2=[O:16])[CH2:26][CH2:27]1)[CH2:36][n:33]1[n:32][c:31]([C:40]([F:41])([F:42])[F:43])[c:30]([Cl:29])[c:34]1[CH3:35]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59813962HCID 59813962, compound

Product 1

HCID 112376932-(4-Chloro-3-methoxy-phenyl)-8-[2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-2,8-diaza-spiro[4.5]decan-1-one

Sources & evidence

ORD record
ord-501f863a9c214f4fb54a196affb538e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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