Ethanol → HCID 178440146, compound
Reaction equation
[CH3:37][CH2:38][OH:39].[Na+:36].[OH-:35].[OH:1][CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[n:8][c:9]([CH2:32][CH2:33][CH3:34])[n:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:11]1[C:12]#[N:13]>>[OH:1][CH:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[n:8][c:9]([CH2:32][CH2:33][CH3:34])[n:10]([CH2:14][c:15]2[cH:16][cH:17][c:18](-[c:21]3[c:22](-[c:27]4[n:28][n:29][n:30][nH:31]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[c:11]1[C:12]([NH2:13])=[O:35]Participants
5
Sources & evidence
- ORD record
- ord-dc150dd081d74427888e6f5f886367d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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