2-(Dimethylamino)ethanol → (2-[4-(Tert-butyl)-2-nitrophenoxy]-ethyl)dimethylamine
Reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:15][N:16]([CH3:17])[CH2:18][CH2:19][OH:20].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([OH:14])[cH:6][cH:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1.[O:40]=[C:41]([O:42][CH2:43][CH3:44])[N:45]=[N:46][C:47]([O:48][CH2:49][CH3:50])=[O:51].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:14][CH2:19][CH2:18][N:16]([CH3:15])[CH3:17])[cH:6][cH:7][c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-a91ec84ce97749d3ab97a81d0d16c9b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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