Benzenepropanal → HCID 178438176, compound
Reaction equation
[CH2:1]([CH3:2])[C:3]1([OH:29])[CH2:4][C:5](=[O:28])[O:6][CH2:7][c:8]2[c:9](=[O:27])[n:10]3[c:24]([cH:25][c:26]21)-[c:13]1[c:12]([cH:21][c:20]2[c:15]([n:14]1)[cH:16][c:17]([F:23])[cH:18][c:19]2[F:22])[CH2:11]3.[c:30]1([CH2:36][CH2:37][CH:38]=[O:39])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:1]([CH3:2])[C:3]1([OH:29])[CH2:4][C:5](=[O:28])[O:6][CH2:7][c:8]2[c:9](=[O:27])[n:10]3[c:24]([cH:25][c:26]21)-[c:13]1[c:12]([c:21]([CH2:37][CH2:36][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:20]2[c:15]([n:14]1)[cH:16][c:17]([F:23])[cH:18][c:19]2[F:22])[CH2:11]3Participants
3
Sources & evidence
- ORD record
- ord-87ad0ee41add419585ad0220d72a7688
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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