Hydrochloric Acid → 1-[2-[4-[(4-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

HRID 198708Notes

Reaction equation

HRID 198708 reaction equation
[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]([CH3:18])[n:10][n:11][c:12]2[CH:13]2[NH:14][CH2:15][CH2:16][CH2:17]2)[cH:19][cH:20]1.[Cl:68][CH2:69][Cl:70].[ClH:1].[F:45][C:46]([c:47]1[cH:48][cH:49][c:50]([CH2:53][C:54](=[O:55])[OH:56])[cH:51][cH:52]1)([F:57])[F:58].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]([CH3:18])[n:10][n:11][c:12]2[CH:13]2[N:14]([C:54]([CH2:53][c:50]3[cH:49][cH:48][c:47]([C:46]([F:45])([F:57])[F:58])[cH:52][cH:51]3)=[O:55])[CH2:15][CH2:16][CH2:17]2)[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 118342(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 468355604-[(4-Chlorophenyl)methyl]-3-methyl-5-pyrrolidin-2-yl-1,2,4-triazole

Product 1

HCID 688136921-[2-[4-[(4-Chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

Sources & evidence

ORD record
ord-0dd0f1e7dd7845cb850a4570f629b490
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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