Hydrochloric Acid → 1-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

HRID 1212892Notes

Reaction equation

HRID 1212892 reaction equation
[CH3:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:52].[NH2:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[NH2:53][CH2:54][C:55](=[O:56])[N:57]1[CH2:58][CH2:59][CH:60]([O:63][c:64]2[c:65]([Cl:71])[cH:66][cH:67][c:68]([F:70])[cH:69]2)[CH2:61][CH2:62]1.[O:10]1[CH2:11][CH2:12][N:13]([n:16]2[n:17][n:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[CH2:14][CH2:15]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[O:10]1[CH2:11][CH2:12][N:13]([n:16]2[n:17][n:18][c:19]([C:21](=[O:23])[NH:53][CH2:54][C:55](=[O:56])[N:57]3[CH2:58][CH2:59][CH:60]([O:63][c:64]4[c:65]([Cl:71])[cH:66][cH:67][c:68]([F:70])[cH:69]4)[CH2:61][CH2:62]3)[cH:20]2)[CH2:14][CH2:15]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 20315N-AminomorpholineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 665915222-Amino-1-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-ethanoneHCID 665919181-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid

Product 1

HCID 442350251-morpholin-4-yl-1H-[1,2,3]triazole-4-carboxylic acid {2-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-d2126d7b5e4f435392da388ecfdc8607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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