Ethanol → HCID 18341388, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[nH:21][cH:22][cH:23][n:24]1)[c:25]1[cH:26][n:27](-[c:30]2[cH:31][cH:32][c:33](-[c:36]3[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]3)[cH:34][cH:35]2)[cH:28][cH:29]1)=[O:44].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:45][CH2:46][OH:47]>>[O:8]=[C:9]([CH2:10][CH:11]([C:12](=[O:13])[NH:14][CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[c:20]1[n:21][cH:22][cH:23][nH:24]1)[c:25]1[cH:26][n:27](-[c:30]2[cH:31][cH:32][c:33](-[c:36]3[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]3)[cH:34][cH:35]2)[cH:28][cH:29]1)[OH:44]Participants
4
Sources & evidence
- ORD record
- ord-ab550f6bbe7749b6b37cc854c00787f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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