HCID 57884497, compound → 3-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-benzoyl]-benzoic acid
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:32])[c:6]([CH2:29][CH2:30][CH3:31])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([c:17]3[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][cH:25]3)[OH:26])[cH:14][cH:15]2)[cH:27][cH:28]1.[C:33]([c:34]1[cH:35][cH:36][c:37]([O:38][CH2:39][c:40]2[cH:41][cH:42][c:43]([C:44]([c:45]3[cH:46][c:47]([C:51]#[N:52])[cH:48][cH:49][cH:50]3)=[O:53])[cH:54][cH:55]2)[c:56]([CH2:57][CH2:58][CH3:59])[c:60]1[OH:61])(=[O:62])[CH3:63]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:32])[c:6]([CH2:29][CH2:30][CH3:31])[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([C:16]([c:17]3[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24][cH:25]3)=[O:26])[cH:14][cH:15]2)[cH:27][cH:28]1Participants
3
Sources & evidence
- ORD record
- ord-7921f513f71e489dbdcd13e0ecff9001
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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