Ethanol → HCID 59398056, compound
Reaction equation
[CH2:1]1[O:2][CH2:4][CH2:5][O:3][CH2:6]1.[CH3:45][CH2:46][OH:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[K+:44].[O:7]1[CH2:8][CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([CH2:17][NH:18][CH:19]1[CH2:20][CH2:21][C:22]([C:25]#[N:26])([CH2:27][CH2:28][n:29]3[c:30](=[O:42])[cH:31][c:32]([CH3:41])[c:33]4[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][c:38]34)[CH2:23][CH2:24]1)[cH:16]2.[OH-:43]>>[O:3]=[C:25]([C:22]1([CH2:27][CH2:28][n:29]2[c:30](=[O:42])[cH:31][c:32]([CH3:41])[c:33]3[cH:34][cH:35][c:36]([O:39][CH3:40])[cH:37][c:38]23)[CH2:21][CH2:20][CH:19]([NH:18][CH2:17][c:15]2[cH:14][cH:13][c:12]3[c:11]([cH:16]2)[O:10][CH2:9][CH2:8][O:7]3)[CH2:24][CH2:23]1)[NH2:26]Participants
7
Sources & evidence
- ORD record
- ord-3eb9e93f45be4253940e67b9ad1007b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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