Hydrochloric Acid → 6-benzyloxy-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-nicotinamide

HRID 1135273Notes

Reaction equation

HRID 1135273 reaction equation
[CH2:54]([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[O:61][c:62]1[n:63][cH:64][c:65]([C:66](=[O:67])[OH:68])[cH:69][cH:70]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:10].[NH2:11][CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[NH:11]([CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1)[C:66]([c:65]1[cH:64][n:63][c:62]([O:61][CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:70][cH:69]1)=[O:67]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2772386-(Benzyloxy)pyridine-3-carboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 251669256-benzyloxy-N-{2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-nicotinamide

Sources & evidence

ORD record
ord-b41ede5c3f3d412b91b872380819cf37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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