Ethanol → HCID 178421389, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[NH2:40][CH2:41][CH2:42][N:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48].[S:1]([O:2][CH2:12][CH2:13][O:14][CH:15]1[CH2:16][CH:17]2[CH2:18][CH2:19][CH:20]3[C:21]4([OH:39])[CH2:22][CH2:23][CH:24]([c:34]5[cH:35][o:36][cH:37][cH:38]5)[C:25]4([CH3:26])[CH2:27][CH2:28][CH:29]3[C:30]2([CH3:33])[CH2:31][CH2:32]1)([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])=[O:11]>>[CH2:12]([CH2:13][O:14][CH:15]1[CH2:16][CH:17]2[CH2:18][CH2:19][CH:20]3[C:21]4([OH:39])[CH2:22][CH2:23][CH:24]([c:34]5[cH:35][o:36][cH:37][cH:38]5)[C:25]4([CH3:26])[CH2:27][CH2:28][CH:29]3[C:30]2([CH3:33])[CH2:31][CH2:32]1)[NH:40][CH2:41][CH2:42][N:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1Participants
5
Sources & evidence
- ORD record
- ord-f75daad2ba5c49de99724dd6f225cfdc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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