HCID 22497293, compound → HCID 22497296, compound
Reaction equation
[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[cH:6][cH:7][c:8]1[C:9]1([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH:16]=[C:17]2[C:18](=[CH:19][c:20]3[c:21]4[c:26]([c:27]5[c:28]6[cH:29][cH:30][cH:31][cH:32][c:33]6[s:34][c:35]5[c:36]32)[CH:25]=[CH:24][CH2:23][O:22]4)[CH:37]=[CH:38]1.[F:39][c:40]1[c:41]([C:46]2([c:70]3[cH:71][cH:72][c:73]([O:76][CH3:77])[cH:74][cH:75]3)[CH:47]=[CH:48][C:49]3=[CH:50][c:51]4[c:52]([c:53]5[c:54]([c:55]6[c:60]4[O:59][CH2:58][CH:57]=[CH:56]6)[c:61]4[c:62]([s:63]5)[cH:64][cH:65][cH:66][cH:67]4)[C:68]3=[CH:69]2)[cH:42][cH:43][cH:44][cH:45]1>>[F:39][c:40]1[c:41]([C:46]2([c:70]3[cH:71][cH:72][cH:73][cH:74][cH:75]3)[CH:47]=[CH:48][C:49]3=[CH:50][c:51]4[c:52]([c:53]5[c:54]([c:55]6[c:60]4[O:59][CH2:58][CH:57]=[CH:56]6)[c:61]4[c:62]([s:63]5)[cH:64][cH:65][cH:66][cH:67]4)[C:68]3=[CH:69]2)[cH:42][cH:43][cH:44][cH:45]1Participants
3
Sources & evidence
- ORD record
- ord-e85c9a4ea2df4aff8bc08283afaadb71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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