Ethanol → HCID 67229075, compound
Reaction equation
[CH3:42][CH2:43][OH:44].[Cl:50][CH2:51][Cl:52].[Na+:41].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:40].[c:1]1([S:2](=[O:3])(=[O:4])[n:10]2[c:11]([C:19](=[CH:20][CH:21]3[CH2:22][C:23]4([O:24][CH2:25][CH2:26][O:27]4)[CH2:28][CH2:29]3)[c:30]3[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[CH3:39])[cH:34][cH:35]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[nH:10]1[c:11]([C:19](=[CH:20][CH:21]2[CH2:22][C:23]3([O:24][CH2:25][CH2:26][O:27]3)[CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[CH3:39])[cH:34][cH:35]2)[cH:12][c:13]2[c:14]1[n:15][cH:16][cH:17][cH:18]2Participants
7
Sources & evidence
- ORD record
- ord-c3221ee0a90f44bba1ff54dd8dd9fee8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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