Hydrochloric Acid → 5-Phenylamino-pyridine-2-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 86477Notes

Reaction equation

HRID 86477 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].[ClH:51].[ClH:52].[ClH:53].[NH:54]1[CH2:55][CH2:56][CH:57]([NH:60][c:61]2[c:62]([Cl:67])[cH:63][cH:64][cH:65][cH:66]2)[CH2:58][CH2:59]1.[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])[n:12][cH: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:54]3[CH2:55][CH2:56][CH:57]([NH:60][c:61]4[c:62]([Cl:67])[cH:63][cH:64][cH:65][cH:66]4)[CH2:58][CH2:59]3)[n:12][cH: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 57874471[(5-Phenylamino-pyridine-2-carbonyl)-amino]-acetic acid

Product 1

HCID 442332655-Phenylamino-pyridine-2-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-7c1a3855d1da4af09727da9ff89f847e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…