Ethanol → HCID 67346331, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:51][CH2:52][OH:53].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([NH:24][c:25]3[c:26]4[c:27]([n:28][cH:29][c:30]3[N+:31]([O-:32])=[O:33])[n:34]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:35][cH:36]4)[CH2:21][CH2:22][CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[N:18]1[CH2:19][CH:20]([NH:24][c:25]3[c:26]4[c:27]([n:28][cH:29][c:30]3[NH2:31])[n:34]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:35][cH:36]4)[CH2:21][CH2:22][CH2:23]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-97a2bbf0800f4e73a5d853774f11eb9f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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