Ethanol → HCID 9946824, compound
Reaction equation
[CH2:29]([OH:30])[CH3:31].[S:1]=[C:2]1[N:3]([CH2:14][CH2:15][CH2:16][CH2:17][C:18]#[N:19])[c:4]2[cH:5][cH:6][cH:7][c:8]3[c:9]2[c:10]1[cH:11][cH:12][cH:13]3.[n:20]1([CH2:25][CH2:26][CH2:27][NH2:28])[cH:21][n:22][cH:23][cH:24]1>>[C:2]1(=[N:28][CH2:27][CH2:26][CH2:25][n:20]2[cH:21][n:22][cH:23][cH:24]2)[N:3]([CH2:14][CH2:15][CH2:16][CH2:17][C:18]#[N:19])[c:4]2[cH:5][cH:6][cH:7][c:8]3[c:9]2[c:10]1[cH:11][cH:12][cH:13]3Participants
4
Sources & evidence
- ORD record
- ord-024262faf68a42b18c2d6243b6ad24d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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