Ethanol → 3-(1,3,4,14b-tetrahydro-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]thiazepin-2-yl)propionic acid ethyl ester
Reaction equation
[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][CH3:26].[CH2:1]1[NH:2][CH2:3][CH2:4][N:5]2[c:6]3[c:7]([cH:16][cH:17][cH:18][cH:19]3)[S:8][c:9]3[c:10]([cH:12][cH:13][cH:14][cH:15]3)[CH:11]12.[CH3:27][CH2:28][OH:29]>>[CH2:1]1[N:2]([CH2:22][CH2:21][C:20](=[O:23])[O:24][CH2:25][CH3:26])[CH2:3][CH2:4][N:5]2[c:6]3[c:7]([cH:16][cH:17][cH:18][cH:19]3)[S:8][c:9]3[c:10]([cH:12][cH:13][cH:14][cH:15]3)[CH:11]12Participants
4
Sources & evidence
- ORD record
- ord-cacf2ae4dfef4ae6843db9159b1cdd3f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…