Hydrochloric Acid → 5-(2-hydroxy-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 1231006Notes

Reaction equation

HRID 1231006 reaction equation
[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[ClH:47].[ClH:48].[NH2:49][CH2:50][C:51](=[O:52])[N:53]1[CH2:54][CH2:55][CH:56]([NH:59][c:60]2[c:61]([Cl:66])[cH:62][cH:63][cH:64][cH:65]2)[CH2:57][CH2:58]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH2:72].[OH:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([C:14](=[O:15])[OH:16])[n:11][n:12]2[CH3:13])[cH:4][cH:5][cH:6][cH:7]1.[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[OH:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]([C:14](=[O:16])[NH:49][CH2:50][C:51](=[O:52])[N:53]3[CH2:54][CH2:55][CH:56]([NH:59][c:60]4[c:61]([Cl:66])[cH:62][cH:63][cH:64][cH:65]4)[CH2:57][CH2:58]3)[n:11][n:12]2[CH3:13])[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 578745212-Amino-1-[4-(2-chloroanilino)piperidin-1-yl]ethanoneHCID 1361706645-(2-hydroxy-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

Product 1

HCID 1359151865-(2-hydroxy-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid {2-[4-(2-chloro-phenylamino)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-c2cd0134a5ab40059b944f17e5664a8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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