2-Chlorophenol → 3-{3-[3-(2-Chloro-phenoxy)-propoxy]-phenyl}-2-methoxy-propionic acid

HRID 100804

Reaction equation

HRID 100804 reaction equation
[CH3:1][O:2][CH:3]([C:4](=[O:5])[OH:6])[CH2:7][c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:11][cH:12][cH:13]1.[CH3:33][O:34][CH:35]([CH2:36][c:37]1[cH:38][cH:39][c:40]([O:41][CH2:42][CH2:43][CH2:44][O:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53]1)[C:54]([OH:55])=[O:56].[OH:25][c:26]1[c:27]([Cl:32])[cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][O:2][CH:3]([C:4](=[O:5])[OH:6])[CH2:7][c:8]1[cH:9][c:10]([O:14][CH2:15][CH2:16][CH2:17][O:18][c:19]2[c:20]([Cl:32])[cH:21][cH:22][cH:23][cH:24]2)[cH:11][cH:12][cH:13]1

Participants

4

Reactant 3

HCID 72452-ChlorophenolHCID 184432662-Methoxy-3-[3-(3-phenoxy-propoxy)-phenyl]-propionic acidHCID 184433852-Methoxy-3-[4-(3-phenoxypropoxy)phenyl]propanoic acid

Product 1

HCID 184435923-{3-[3-(2-Chloro-phenoxy)-propoxy]-phenyl}-2-methoxy-propionic acid

Sources & evidence

ORD record
ord-5a5d7057e0974bc4b91fff4b8d7c8ef4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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