Ethanol → HCID 67996947, compound
Reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:61][CH2:62][OH:63].[K+:60].[OH-:59].[S:1]([c:2]1[cH:3][cH:4][c:5]([CH3:6])[cH:7][cH:8]1)(=[O:9])(=[O:10])[n:11]1[cH:12][c:13]([CH:20]2[O:21][CH:22]([CH2:50][O:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH:23]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:24]([O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12>>[nH:11]1[cH:12][c:13]([CH:20]2[O:21][CH:22]([CH2:50][O:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH:23]([O:42][CH2:43][c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH:24]([O:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12Participants
6
Sources & evidence
- ORD record
- ord-7a4e7a55027840b3a5ceb709e9a6843a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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