Sodium ion → 7-({4-[(4-hexylphenyl)ethynyl]anilino}methyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one
Reaction equation
[BH4-:37].[CH2:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:22]1[cH:23][cH:24][c:25]([C:28]#[C:29][c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[cH:26][cH:27]1.[CH3:1][C:2]1([CH3:15])[O:3][C:4](=[O:14])[c:5]2[c:6]([cH:8][c:9]([CH:12]=[O:13])[cH:10][cH:11]2)[O:7]1.[Na+:38].[OH2:39]>>[CH3:1][C:2]1([CH3:15])[O:3][C:4](=[O:14])[c:5]2[c:6]([cH:8][c:9]([CH2:12][NH:34][c:33]3[cH:32][cH:31][c:30]([C:29]#[C:28][c:25]4[cH:24][cH:23][c:22]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:27][cH:26]4)[cH:36][cH:35]3)[cH:10][cH:11]2)[O:7]1Participants
6
Sources & evidence
- ORD record
- ord-1f0e6eb63ee447d1a4fd07e1eaefdc8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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