Acetonitrile → Di-n-dodecyl 5-tert.-octyl-2,3-dimethyl-4-hydroxybenzylphosphonate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH2:4][C:5]([CH3:6])([CH3:7])[CH3:8])[c:9]1[cH:10][c:11]([CH2:18][N:19]([CH3:20])[CH3:21])[c:12]([CH3:17])[c:13]([CH3:16])[c:14]1[OH:15].[CH3:50][C:51]#[N:52].[P:22]([O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])([O:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])[O-:49]>>[C:1]([CH3:2])([CH3:3])([CH2:4][C:5]([CH3:6])([CH3:7])[CH3:8])[c:9]1[cH:10][c:11]([CH2:18][P:22]([O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])([O:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48])=[O:49])[c:12]([CH3:17])[c:13]([CH3:16])[c:14]1[OH:15]Participants
4
Sources & evidence
- ORD record
- ord-43e0301333fc48e2a0501b89badb6bb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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