Ethanol → HCID 178467353, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25]([C:27]([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)([c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:46][c:47](-[c:51]1[n:52][c:53]3[n:54]([cH:59]1)[CH2:55][CH2:56][CH2:57][CH2:58]3)[cH:48][c:49]2[CH3:50].[CH3:62][CH2:63][OH:64].[Na+:61].[OH-:60]>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17](-[c:22]4[n:23][n:24][n:25][nH:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:46][c:47](-[c:51]1[n:52][c:53]3[n:54]([cH:59]1)[CH2:55][CH2:56][CH2:57][CH2:58]3)[cH:48][c:49]2[CH3:50]Participants
5
Sources & evidence
- ORD record
- ord-246403da1de14f65aa9d1ced1374c2b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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