3-(3'-Hydroxyphenyl)propionic acid → HCID 57672487, compound
Reaction equation
[CH2:14]([P+:15]([CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH3:30].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[Cl:31][CH2:32][c:33]1[cH:34][c:35](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[c:36]([CH:39]2[CH2:40][CH2:41]2)[cH:37][cH:38]1.[OH-:13].[OH:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][c:4]([CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1)[CH2:32][c:33]1[cH:34][c:35](-[c:42]2[c:43]([F:50])[cH:44][cH:45][c:46]([O:48][CH3:49])[cH:47]2)[c:36]([CH:39]2[CH2:40][CH2:41]2)[cH:37][cH:38]1Participants
6
Sources & evidence
- ORD record
- ord-3f360228abb149b1a3e3a4e6ee66e756
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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