AGN 193109 Ethyl Ester → Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-ethylphenyl)-2-naphthalenyl)ethynyl]benzoate
Reaction equation
[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([c:12]2[cH:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)=[CH:10][CH2:11]1.[CH3:33][C:34]1([CH3:35])[CH2:36][CH:37]=[C:38]([O:39][S:40]([C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46])[c:47]2[cH:48][c:49]([C:50]#[C:51][c:52]3[cH:53][cH:54][c:55]([C:56]([O:57][CH2:58][CH3:59])=[O:60])[cH:61][cH:62]3)[cH:63][cH:64][c:65]21>>[CH3:1][C:2]1([CH3:32])[c:3]2[cH:4][cH:5][c:6]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31]3)[cH:7][c:8]2[C:9]([c:12]2[cH:13][cH:14][c:15]([CH2:18][CH3:33])[cH:16][cH:17]2)=[CH:10][CH2:11]1Participants
3
Sources & evidence
- ORD record
- ord-dc0d3ad67bbe47069b80a8b632785c97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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