Hydrochloric Acid → N-{2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-6-phenylamino-nicotinamide

HRID 2349115Notes

Reaction equation

HRID 2349115 reaction equation
[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[Cl:54][c:55]1[c:56]([NH:61][CH:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[cH:57][cH:58][cH:59][cH:60]1.[ClH:51].[ClH:52].[ClH:53].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[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:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[OH:20])[cH:12][n:13]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:14](=[O:15])[NH:16][CH2:17][C:18](=[O:20])[N:65]3[CH2:64][CH2:63][CH:62]([NH:61][c:56]4[c:55]([Cl:54])[cH:60][cH:59][cH:58][cH:57]4)[CH2:67][CH2:66]3)[cH:12][n:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid3×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4778206N-(2-chlorophenyl)piperidin-4-amineHCID 57874437[(6-Phenylamino-pyridine-3-carbonyl)-amino]-acetic acid

Product 1

HCID 44233264N-{2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-6-phenylamino-nicotinamide

Sources & evidence

ORD record
ord-758b8abdc1894ccb9396c96012f15d43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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