Hexane → HCID 178525996, compound
Reaction equation
[CH2:1]([n:2]1[cH:3][c:4]([C:5](=[O:6])[CH:7]=[C:8]([OH:9])[C:10]([O:11][CH3:12])=[O:13])[c:14](=[O:15])[n:16]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]1=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:65][CH2:66][CH2:67][CH2:68][CH2:69][CH3:70].[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][n:38]2[c:39](=[O:62])[n:40]([CH2:54][c:55]3[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]3)[c:41](=[O:53])[c:42]([C:44]([CH:45]=[C:46]([C:47](=[O:48])[O:49][CH3:50])[OH:51])=[O:52])[cH:43]2)[cH:63][cH:64]1>>[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][n:38]2[c:39](=[O:62])[n:40]([CH2:54][c:55]3[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]3)[c:41](=[O:53])[c:42]([C:44]([CH:45]=[C:46]([C:47](=[O:48])[OH:49])[OH:51])=[O:52])[cH:43]2)[cH:63][cH:64]1Participants
5
Sources & evidence
- ORD record
- ord-462a7bc513914a32b930b1e9d9739e1e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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