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Acetic Acid → 2-(3-{(3,4-Dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)benzoic acid

HRID 166266
Notes
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Reaction equation

HRID 166266 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:50][OH:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:5][O:6][c:7]1[cH:8][c:9]([C:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]3)[c:19](=[O:21])[nH:20]2)=[N:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[n:39][o:40][c:41]([CH3:43])[n:42]3)[cH:36][cH:37]2)[cH:10][cH:11][c:12]1[O:13][CH3:14].[ClH:49].[OH2:52]>>[CH3:5][O:6][c:7]1[cH:8][c:9]([CH:15]([c:16]2[n:17][n:18](-[c:22]3[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]3)[c:19](=[O:21])[nH:20]2)[NH:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[n:39][o:40][c:41]([CH3:43])[n:42]3)[cH:36][cH:37]2)[cH:10][cH:11][c:12]1[O:13][CH3:14]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 1361737382-(3-{(3,4-Dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)benzoic acid

Product 1

HCID 1361736272-(3-{(3,4-Dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)benzoic acid

Sources & evidence

ORD record
ord-08d73973333146428c67ed6dd17b6ed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes