Ethanol → HCID 59318122, compound
Reaction equation
[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[CH:20]1[CH2:21][CH2:22][N:23]([c:26]2[cH:27][cH:28][c:29]([C:32](=[O:33])[OH:34])[cH:30][cH:31]2)[CH2:24][CH2:25]1.[CH2:1]([CH3:2])[n:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([N+:12]([O-:13])=[O:14])[cH:10][c:11]12.[CH3:35][CH2:36][N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45].[CH3:46][CH2:47][OH:48]>>[CH2:1]([CH3:2])[n:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([NH:12][C:32]([c:29]3[cH:28][cH:27][c:26]([N:23]4[CH2:22][CH2:21][CH:20]([C:18]([O:17][CH2:15][CH3:16])=[O:19])[CH2:25][CH2:24]4)[cH:31][cH:30]3)=[O:33])[cH:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-651e277cc8944116b8645be8912ee993
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…