3-[5-(4-Acetyl-3-hydroxy-2-methyl-phenoxymethyl)-[1,2,4]oxadiazol-3-ylmethyl]-benzoic acid → 3-[[5-[(4-Acetyl-2-chloro-3-hydroxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzoic acid

HRID 298916Notes

Reaction equation

HRID 298916 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:28])[c:6]([CH3:27])[c:7]([O:8][CH2:9][c:10]2[n:11][c:12]([CH2:15][c:16]3[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24]3)[n:13][o:14]2)[cH:25][cH:26]1.[Cl:29][c:30]1[c:31]([OH:32])[c:33]([C:34](=[O:35])[CH3:36])[cH:37][cH:38][c:39]1[O:40][CH2:41][c:42]1[o:43][n:44][c:45]([CH2:46][c:47]2[cH:48][cH:49][cH:50][c:51]([I:52])[cH:53]2)[n:54]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:28])[c:6]([Cl:29])[c:7]([O:8][CH2:9][c:10]2[n:11][c:12]([CH2:15][c:16]3[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24]3)[n:13][o:14]2)[cH:25][cH:26]1

Participants

3

Reactant 2

HCID 578844573-[5-(4-Acetyl-3-hydroxy-2-methyl-phenoxymethyl)-[1,2,4]oxadiazol-3-ylmethyl]-benzoic acidHCID 666995681-{3-Chloro-2-hydroxy-4-[3-(3-iodo-benzyl)-[1,2,4]oxadiazol-5-ylmethoxy]-phenyl}-ethanone

Product 1

HCID 578844873-[[5-[(4-Acetyl-2-chloro-3-hydroxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]methyl]benzoic acid

Sources & evidence

ORD record
ord-f1e33d40811b4a7c9bd6dab6fd17dc31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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