Dimethylformamide → 1-[4-(Pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 2154798Notes

Reaction equation

HRID 2154798 reaction equation
[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[F:56][C:57]([c:58]1[cH:59][c:60]([NH2:64])[cH:61][cH:62][cH:63]1)([F:65])[F:66].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:1]1[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[c:10]([N:14]3[CH2:15][CH2:16][CH:17]([C:20](=[O:21])[OH:22])[CH2:18][CH2:19]3)[n:11][s:12][n:13]2)[cH:5][cH:6]1.[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[n:1]1[cH:2][cH:3][c:4]([CH2:7][O:8][c:9]2[c:10]([N:14]3[CH2:15][CH2:16][CH:17]([C:20](=[O:22])[NH:64][c:60]4[cH:59][c:58]([C:57]([F:56])([F:65])[F:66])[cH:63][cH:62][cH:61]4)[CH2:18][CH2:19]3)[n:11][s:12][n:13]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 73753-(Trifluoromethyl)anilineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 590139171-[4-(Pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperidine-4-carboxylic acid

Product 1

HCID 590137691-[4-(Pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-11a4e45bb1c443e998b26f6ab0e014f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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