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

HRID 316933Notes

Reaction equation

HRID 316933 reaction equation
[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:42].[NH2:1][CH2:2][c:3]1[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[s:7]1.[Na+:72].[O-:68][C:69]([OH:70])=[O:71].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:15][CH:16]([C:17](=[O:18])[OH:19])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[NH:1]([CH2:2][c:3]1[n:4][n:5][c:6](-[c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[s:7]1)[C:17]([CH:16]([OH:15])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:18]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 537335152-Hydroxy-8-phenyloctanoic acidHCID 1363406864-(5-(Aminomethyl)-1,3,4-thiadiazol-2-yl)phenol

Product 1

HCID 1363406892-hydroxy-N-((5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl)methyl)-8-phenyloctanamide

Sources & evidence

ORD record
ord-7270858ad64e430c9c3793da9569459a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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