Ethanol → HCID 178450824, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH:6]([NH:7][C:8]([CH2:9][N:10]([CH:11]1[CH2:12][CH2:13]1)[C:14]([CH2:15][CH2:16][CH2:17][c:18]1[c:19]([NH2:31])[c:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:21][cH:22][cH:23]1)=[O:32])=[O:33])[CH2:34][CH2:35][c:36]1[cH:37][nH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12)=[O:45].[CH3:48][CH2:49][OH:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Na+:47].[OH-:46]>>[O:3]=[C:4]([CH2:5][CH:6]([NH:7][C:8]([CH2:9][N:10]([CH:11]1[CH2:12][CH2:13]1)[C:14]([CH2:15][CH2:16][CH2:17][c:18]1[c:19]([NH2:31])[c:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:21][cH:22][cH:23]1)=[O:32])=[O:33])[CH2:34][CH2:35][c:36]1[cH:37][nH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12)[OH:45]Participants
6
Sources & evidence
- ORD record
- ord-eaa0ebc6223b481b92d36351e1f783a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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