Ethylene Glycol → 1-(3',4'-Dimethoxyphenyl)-7-(4'-fluorophenyl)-2-nitro-5-heptanone ethylene ketal
Reaction equation
[CH2:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([CH2:13][CH2:14][C:15]([CH2:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]2)=[O:25])[N+:26](=[O:27])[O-:28])[cH:6][cH:7][c:8]1[O:9][CH3:10].[OH:40][CH2:41][CH2:42][OH:43].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH:12]([CH2:13][CH2:14][C:15]2([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[O:25][CH2:42][CH2:41][O:40]2)[N+:26](=[O:27])[O-:28])[cH:6][cH:7][c:8]1[O:9][CH3:10]Participants
5
Sources & evidence
- ORD record
- ord-07a7f9452c484d1bb362f9e851ed8de9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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