Hexane → HCID 178440317, compound
Reaction equation
[C:36]([O:37][CH2:38][CH3:39])(=[O:40])[CH3:41].[CH3:1][N:2]([C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]([C:15]2=[N:20][c:19]3[c:18]([n:23]([CH3:24])[n:22][c:21]3[CH2:25][CH2:26][CH3:27])[CH2:17][NH:16]2)[c:9]([O:12][CH2:13][CH3:14])[cH:10][cH:11]1)=[O:28])[CH3:29].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]>>[CH3:1][N:2]([C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([C:15]2=[N:20][c:19]3[c:18]([n:23]([CH3:24])[n:22][c:21]3[CH2:25][CH2:26][CH3:27])[CH2:17][NH:16]2)[c:9]([O:12][CH2:13][CH3:14])[cH:10][cH:11]1)=[O:28])[CH3:29]Participants
4
Sources & evidence
- ORD record
- ord-179f451e0f8a4d3e86e7319705b3d64e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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