Hydrochloric Acid → 4-(5-cyano-pyridin-2-yloxy)-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

HRID 2317627Notes

Reaction equation

HRID 2317627 reaction equation
[C:54](#[N:55])[c:56]1[cH:57][cH:58][c:59]([O:62][c:63]2[cH:64][cH:65][c:66]([C:67](=[O:68])[OH:69])[cH:70][cH:71]2)[n:60][cH:61]1.[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:53].[NH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[NH:10]([CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([C:20]([c:21]2[c:22]([C:27]([F:28])([F:29])[F:30])[cH:23][cH:24][cH:25][cH:26]2)=[O:31])[CH2:18][CH2:19]1)[C:67]([c:66]1[cH:65][cH:64][c:63]([O:62][c:59]2[cH:58][cH:57][c:56]([C:54]#[N:55])[cH:61][n:60]2)[cH:71][cH:70]1)=[O:68]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 521758604-((5-Cyano-2-pyridinyl)oxy)benzoic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 251651264-(5-cyano-pyridin-2-yloxy)-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-benzamide

Sources & evidence

ORD record
ord-f8de496c0c8c4ee5af67f329af98f1b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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