Ethanol → HCID 178452076, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[O:1]=[C:2]([CH:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[n:9][cH:10]1)[NH:24][O:25][CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30][O:31]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([O-:38])(=[O:39])=[O:40])[cH:41][cH:42]1.[nH+:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:1]=[C:2]([CH:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]2)[n:9][cH:10]1)[NH:24][OH:25]Participants
5
Sources & evidence
- ORD record
- ord-9081afc8efda409694399fb175eed5fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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