Ethanol → 1-[9-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl]-3-(1H-indol-4-yloxy)-propan-2-ol
Reaction equation
[CH3:44][CH2:45][OH:46].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([N:11]1[CH:12]3[CH2:13][CH:14]=[CH:15][CH2:16][CH:17]([CH2:18]1)[NH:19][CH2:20]3)[cH:10]2.[O:21]1[CH:22]([CH2:24][O:25][c:26]2[c:27]3[cH:28][cH:29][nH:30][c:31]3[cH:32][cH:33][cH:34]2)[CH2:23]1>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([N:11]1[CH:12]3[CH2:13][CH:14]=[CH:15][CH2:16][CH:17]([CH2:18]1)[N:19]([CH2:23][CH:22]([OH:21])[CH2:24][O:25][c:26]1[c:27]4[cH:28][cH:29][nH:30][c:31]4[cH:32][cH:33][cH:34]1)[CH2:20]3)[cH:10]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-5b7258ff92a84e918712890b7a3d9960
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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