Ethanol → HCID 178448435, compound
Reaction equation
[CH3:32][CH2:33][OH:34].[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:13](-[c:15]4[c:16]([C:17]#[N:18])[cH:19][cH:20][c:21]([F:23])[cH:22]4)[n:14]3)[cH:28][cH:29]2)[cH:6][n:7]1.[NH2:30][OH:31]>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:13](-[c:15]4[c:16]([C:17](=[NH:18])[NH:30][OH:31])[cH:19][cH:20][c:21]([F:23])[cH:22]4)[n:14]3)[cH:28][cH:29]2)[cH:6][n:7]1Participants
4
Sources & evidence
- ORD record
- ord-2b088f6dea8e4351ab17205f59c0c32b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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