Hexane → HCID 21463539, compound
Reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([C:7]([CH2:8][CH2:9][c:10]1[s:11][c:12]2[c:13]([n:14]1)[c:15]([F:21])[c:16]([F:20])[cH:17][c:18]2[F:19])=[S:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36]>>[O:3]=[C:4]([CH2:5][N:6]([C:7]([CH2:8][CH2:9][c:10]1[s:11][c:12]2[c:13]([n:14]1)[c:15]([F:21])[c:16]([F:20])[cH:17][c:18]2[F:19])=[S:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[OH:30]Participants
4
Sources & evidence
- ORD record
- ord-7db5d4993b04494384922d19b767b6ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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