Hexane → HCID 21948845, compound
Reaction equation
[C:29]([O:30][CH2:31][CH3:32])(=[O:33])[CH3:34].[CH3:1][C:2]([CH2:3][C:4]1([C:7]([F:8])([F:9])[F:10])[O:5][CH2:6]1)([CH3:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[NH2:18][c:19]1[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]2[cH:26][cH:27][cH:28]1>>[CH3:1][C:2]([CH2:3][C:4]([OH:5])([CH2:6][NH:18][c:19]1[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]2[cH:26][cH:27][cH:28]1)[C:7]([F:8])([F:9])[F:10])([CH3:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1Participants
5
Sources & evidence
- ORD record
- ord-4f2223e5658e4e8ea02b741332d98e89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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