Chloride → 6-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2,2-dimethyl-4H-1,3-benzodioxin-4-one
Reaction equation
[BH4-:35].[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]([CH:17]=[O:18])[cH:19][cH:20]2)[cH:9][cH:10]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:46][OH:47].[Cl-:37].[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:33][cH:34]1)[O:26][C:27]([CH3:31])([CH3:32])[O:28][C:29]2=[O:30].[Na+:36].[Na+:38].[OH2:53]>>[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:21][c:22]3[cH:23][c:24]4[c:25]([cH:33][cH:34]3)[O:26][C:27]([CH3:31])([CH3:32])[O:28][C:29]4=[O:30])[cH:19][cH:20]2)[cH:9][cH:10]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-c56af0b03af4441a9936b595ad612813
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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