Hydrochloric Acid → N-(2-{4-[methyl-(2-trifluoromethyl-phenyl)-amino]-piperidin-1-yl}-2-oxo-ethyl)-4-phenylamino-benzamide

HRID 1217761Notes

Reaction equation

HRID 1217761 reaction equation
[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH3:53][N:54]([c:55]1[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]1)[CH:65]1[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[ClH:51].[ClH:52].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1.[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([NH:7][c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:68]3[CH2:67][CH2:66][CH:65]([N:54]([CH3:53])[c:55]4[c:56]([C:61]([F:62])([F:63])[F:64])[cH:57][cH:58][cH:59][cH:60]4)[CH2:70][CH2:69]3)[cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 578744214-Piperidinamine, N-methyl-N-[2-(trifluoromethyl)phenyl]-HCID 57874498(4-Phenylamino-benzoylamino)-acetic acid

Product 1

HCID 44235734N-(2-{4-[methyl-(2-trifluoromethyl-phenyl)-amino]-piperidin-1-yl}-2-oxo-ethyl)-4-phenylamino-benzamide

Sources & evidence

ORD record
ord-72fbc690aad845dcbf542b7f471f817c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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