Ethanol → HCID 178467377, 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][n:26]4[C:27]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][CH:53]([CH3:54])[O:55][C:56](=[O:57])[O:58][CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[cH:47][cH:48][cH:49]2.[CH3:65][CH2:66][OH:67].[CH3:68][OH:69]>>[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[nH:23][n:24][n:25][n:26]4)[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[c:46]([C:50](=[O:51])[O:52][CH:53]([CH3:54])[O:55][C:56](=[O:57])[O:58][CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[cH:47][cH:48][cH:49]2Participants
4
Sources & evidence
- ORD record
- ord-8b81aefb07c844cea5ee1a89c4c11e7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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