Ethanol → 2-(1,2,3,4,10,14b-Hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)ethoxyacetic acid
Reaction equation
[CH2:4]1[N:5]([CH2:23][CH2:24][O:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:6][CH2:7][N:8]2[CH:9]1[c:10]1[c:11]([cH:19][cH:20][cH:21][cH:22]1)[CH2:12][c:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18]1.[CH3:32][CH2:33][OH:34].[Na+:2].[OH-:1].[OH2:3]>>[CH2:4]1[N:5]([CH2:23][CH2:24][O:25][CH2:26][C:27](=[O:28])[OH:29])[CH2:6][CH2:7][N:8]2[CH:9]1[c:10]1[c:11]([cH:19][cH:20][cH:21][cH:22]1)[CH2:12][c:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-07a6fc3f81dc48e1a1ca57e467f58f4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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