Hydrochloric Acid → N-((5-(4-((3-fluorobenzyl)oxy)phenyl)-1,3,4-thiadiazol-2-yl)methyl)-2-hydroxy-8-phenyloctanamide

HRID 673149Notes

Reaction equation

HRID 673149 reaction equation
[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[ClH:51].[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14][n:15][c:16]([CH2:18][NH2:19])[s:17]3)[cH:11][cH:12]2)[cH:20][cH:21][cH:22]1.[Na+:81].[O-:77][C:78]([OH:79])=[O:80].[OH2:40].[OH:23][CH:24]([C:25](=[O:26])[OH:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14][n:15][c:16]([CH2:18][NH:19][C:25]([CH:24]([OH:23])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)=[O:26])[s:17]3)[cH:11][cH:12]2)[cH:20][cH:21][cH:22]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 537335152-Hydroxy-8-phenyloctanoic acidHCID 66822259(5-(4-((3-Fluorobenzyl)oxy)phenyl)-1,3,4-thiadiazol-2-yl)methanamine

Product 1

HCID 66822711N-((5-(4-((3-fluorobenzyl)oxy)phenyl)-1,3,4-thiadiazol-2-yl)methyl)-2-hydroxy-8-phenyloctanamide

Sources & evidence

ORD record
ord-f7daec8ff8bc4e6588bb47c1ab36c863
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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