Ethanol → HCID 10155797, compound
Reaction equation
[CH2:30]([OH:31])[CH3:32].[c:1]1([CH2:7][N:8]2[C:9](=[S:20])[c:10]3[c:11]4[c:12]([cH:13][cH:14][cH:15][c:16]42)[cH:17][cH:18][cH:19]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:21]1([CH2:26][CH2:27][CH2:28][NH2:29])[cH:22][n:23][cH:24][cH:25]1>>[c:1]1([CH2:7][N:8]2[C:9](=[N:29][CH2:28][CH2:27][CH2:26][n:21]3[cH:22][n:23][cH:24][cH:25]3)[c:10]3[c:11]4[c:12]([cH:13][cH:14][cH:15][c:16]42)[cH:17][cH:18][cH:19]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-44d3e2aa664e45568bab2433537e78a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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