7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxy-N-(1-phenylethyl)hept-6-enamide → HCID 178465136, compound
Reaction equation
[c:1]1([CH:7]([CH3:8])[NH:9][C:10]([CH2:11][CH:12]([CH2:13][C:14]([CH:15]=[CH:16][c:17]2[n:18]([CH:33]([CH3:34])[CH3:35])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]2-[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)=[O:36])[OH:37])=[O:38])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:39]1([CH:40]([NH:41][C:42](=[O:43])[CH2:44][CH:45]([OH:46])[CH2:47][CH:48]([OH:49])[CH:50]=[CH:51][c:52]2[c:53]([CH:54]3[CH2:55][CH2:56]3)[n:57][c:58]3[c:59]([c:60]2-[c:61]2[cH:62][cH:63][c:64]([F:65])[cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71]3)[CH3:72])[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[c:1]1([CH:7]([CH3:8])[NH:9][C:10]([CH2:11][CH:12]([CH2:13][CH:14]([CH:15]=[CH:16][c:17]2[n:18]([CH:33]([CH3:34])[CH3:35])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]2-[c:26]2[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]2)[OH:36])[OH:37])=[O:38])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
3
Sources & evidence
- ORD record
- ord-7956200cd31a4a7da4d6c1f999d3affb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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