Ethanol → HCID 178439924, compound
Reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][C:32](=[N:33][C:34]#[N:35])[N:36]([CH3:37])[CH3:38])[cH:28][c:29]2[CH3:30].[CH3:41][CH2:42][OH:43].[Na+:40].[OH-:39]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:8]1[CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]3[c:17]([C:22](=[O:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]3)[cH:14][cH:15]1)[cH:26][c:27]([NH:31][C:32](=[N:33][C:34]#[N:35])[N:36]([CH3:37])[CH3:38])[cH:28][c:29]2[CH3:30]Participants
5
Sources & evidence
- ORD record
- ord-61853aedc6c24610879b9b843d6615e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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