Ethanol → HCID 8615619, compound
Reaction equation
[CH2:23]1[CH2:24][CH2:25][C:26]2=[N:31][CH2:30][CH2:29][CH2:28][N:27]2[CH2:32][CH2:33]1.[CH3:20][CH2:21][OH:22].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[NH2:1][c:2]1[n:3][c:4]([S:17]([CH3:18])=[O:19])[c:5]([C:15]#[N:16])[c:6](-[c:10]2[o:11][cH:12][cH:13][cH:14]2)[c:7]1[C:8]#[N:9]>>[NH2:1][c:2]1[n:3][c:4]([O:22][CH2:21][CH3:20])[c:5]([C:15]#[N:16])[c:6](-[c:10]2[o:11][cH:12][cH:13][cH:14]2)[c:7]1[C:8]#[N:9]Participants
5
Sources & evidence
- ORD record
- ord-5a9b586790dd4672869b5dc34d25fcee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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