3-{[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenyl]-methoxy-methyl}-benzonitrile → HCID 178439656, compound
Reaction equation
[C:35]([c:36]1[cH:38][cH:39][c:40]([O:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([CH:47]([O:48][CH3:49])[c:50]3[cH:51][c:52]([C:56]#[N:57])[cH:53][cH:54][cH:55]3)[cH:58][cH:59]2)[c:60]([CH2:61][CH2:62][CH3:63])[c:64]1[OH:65])(=[O:37])[CH3:66].[F:1][CH:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]([CH2:19][CH2:20][CH3:21])[c:11]([OH:18])[c:12]([C:15]([CH3:16])=[O:17])[cH:13][cH:14]2)[cH:22][cH:23]1)[c:24]1[cH:25][c:26](-[c:30]2[n:31][n:32][n:33][nH:34]2)[cH:27][cH:28][cH:29]1>>[CH:2]([c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[c:10]([CH2:19][CH2:20][CH3:21])[c:11]([OH:18])[c:12]([C:15]([CH3:16])=[O:17])[cH:13][cH:14]2)[cH:22][cH:23]1)([c:24]1[cH:25][c:26](-[c:30]2[nH:31][n:32][n:33][n:34]2)[cH:27][cH:28][cH:29]1)[O:37][CH3:35]Participants
3
Sources & evidence
- ORD record
- ord-86507e6463b248f49c1cdbf4a8b23214
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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