Hydrochloric Acid → 8-(6-fluoropyridin-3-yl)-2-hydroxy-N-((5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)methyl)octanamide

HRID 117569Notes

Reaction equation

HRID 117569 reaction equation
[CH3:31][N:32]([CH3:33])[CH2:34][CH2:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH3:41].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[ClH:30].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]([C:15](=[O:16])[OH:17])[OH:18])[cH:6][n:7]1.[NH2:51][CH2:52][c:53]1[n:54][n:55][c:56](-[c:58]2[cH:59][cH:60][c:61]([OH:64])[cH:62][cH:63]2)[s:57]1.[OH2:19].[OH:20][n:21]1[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]([C:15](=[O:17])[NH:51][CH2:52][c:53]2[n:54][n:55][c:56](-[c:58]3[cH:59][cH:60][c:61]([OH:64])[cH:62][cH:63]3)[s:57]2)[OH:18])[cH:6][n:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 668221358-(6-Fluoropyridin-3-yl)-2-hydroxyoctanoic acidHCID 1363406864-(5-(Aminomethyl)-1,3,4-thiadiazol-2-yl)phenol

Product 1

HCID 1363406888-(6-fluoropyridin-3-yl)-2-hydroxy-N-((5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)methyl)octanamide

Sources & evidence

ORD record
ord-de4ad609b3a244a1b966e3a6df6cae5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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