Ethanol → HCID 19087825, compound
Reaction equation
[CH2:1]([S:2][c:4]1[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12](=[O:51])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30][n:31]3[C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1)[CH3:3].[CH3:53][CH2:54][O-:55].[CH3:56][CH2:57][OH:58].[Na+:52]>>[c:4]1([O:55][CH2:54][CH3:53])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12](=[O:51])[n:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18](-[c:21]2[c:22](-[c:27]3[n:28][n:29][n:30][n:31]3[C:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:23][cH:24][cH:25][cH:26]2)[cH:19][cH:20]1Participants
5
Sources & evidence
- ORD record
- ord-c8e37cbbcae740c5ac02d9e17f73b71f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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