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

HRID 1205034Notes

Reaction equation

HRID 1205034 reaction equation
[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:29].[F:48][c:49]1[cH:50][c:51]([CH2:52][O:53][c:54]2[cH:55][cH:56][c:57](-[c:60]3[n:61][n:62][c:63]([CH2:65][NH2:66])[s:64]3)[cH:58][cH:59]2)[cH:67][cH:68][cH:69]1.[OH2:18].[OH:19][n:20]1[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[n:27][n:28]1.[OH:1][CH:2]([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][c:12]1[c:13]([CH3:17])[n:14][cH:15][s:16]1>>[OH:1][CH:2]([C:3](=[O:5])[NH:66][CH2:65][c:63]1[n:62][n:61][c:60](-[c:57]2[cH:56][cH:55][c:54]([O:53][CH2:52][c:51]3[cH:50][c:49]([F:48])[cH:69][cH:68][cH:67]3)[cH:59][cH:58]2)[s:64]1)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][c:12]1[c:13]([CH3:17])[n:14][cH:15][s:16]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 66822259(5-(4-((3-Fluorobenzyl)oxy)phenyl)-1,3,4-thiadiazol-2-yl)methanamineHCID 668229252-Hydroxy-8-(4-methylthiazol-5-yl)octanoic acid

Product 1

HCID 66822357N-((5-(4-((3-fluorobenzyl)oxy)phenyl)-1,3,4-thiadiazol-2-yl)methyl)-2-hydroxy-8-(4-methylthiazol-5-yl)octanamide

Sources & evidence

ORD record
ord-036a57d474934868b46107e774f5c43b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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