Hexane → HCID 60046927, compound
Reaction equation
[CH2:27]([O:28][C:29](=[O:30])[CH3:31])[CH3:32].[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[c:13]1[OH:14].[P:33]([Cl:34])([Cl:35])([Cl:36])=[O:37]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:11][c:12]2[c:13]1[Cl:35]Participants
5
Sources & evidence
- ORD record
- ord-23e1e6ffd3d947d8b3abf2eedfeba2fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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