Ethanol → HCID 21099337, compound
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH:7]1[CH:8]([CH2:37][O:4][S:5]([CH3:38])(=[O:39])=[O:40])[CH:9]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH:10]([O:13][CH:14]([CH3:15])[c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[CH2:11][CH2:12]1)(=[O:41])=[O:42].[CH3:51][CH2:52][OH:53].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH2:6]1[CH:7]2[CH:8]([CH:9]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH:10]([O:13][CH:14]([CH3:15])[c:16]3[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]3)[CH2:11][CH2:12]2)[CH2:37][N:43]1[CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1Participants
4
Sources & evidence
- ORD record
- ord-d1986285704c4652af676b159c94f04e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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