Ethanol → HCID 178439975, compound
Reaction equation
[CH2:1]([CH3:2])[N:3]1[CH:4]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[c:5]2[c:6]([n:9][c:10]([CH2:49][CH2:50][CH3:51])[n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][n:29]4[C:30]([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[CH2:7][CH2:8]1.[CH3:65][CH2:66][OH:67].[OH:57][C:58]([CH:59]=[CH:60][C:61](=[O:62])[OH:63])=[O:64]>>[CH2:1]([CH3:2])[N:3]1[CH:4]([C:52](=[O:53])[O:54][CH2:55][CH3:56])[c:5]2[c:6]([n:9][c:10]([CH2:49][CH2:50][CH3:51])[n:11]2[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][nH:29]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[CH2:7][CH2:8]1Participants
4
Sources & evidence
- ORD record
- ord-90ebc65d87754c7b8118d7b42fc93627
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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