Sodium ion → 6-[{4-[(4-butylphenyl)ethynyl]benzyl}(hexyl)amino]-2,2-dimethyl-4H-1,3-benzodioxin-4-one
Reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][c:21]4[c:22]([cH:30][cH:31]3)[O:23][C:24]([CH3:28])([CH3:29])[O:25][C:26]4=[O:27])[cH:32][cH:33]2)[cH:9][cH:10]1.[CH:34]([CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])=[O:40].[Na+:54].[OH2:55]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][c:21]4[c:22]([cH:30][cH:31]3)[O:23][C:24]([CH3:28])([CH3:29])[O:25][C:26]4=[O:27])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:32][cH:33]2)[cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-f35b08fe6a4841bfa9f2cd7b985cd295
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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