Ethanol → HCID 178424066, compound
Reaction equation
[CH2:32]([OH:33])[CH3:34].[CH3:1][C:2]([CH2:3][N:4]([c:5]1[n:6][c:7]([S:26][CH3:27])[n:8][c:9]([NH:13][c:14]2[c:15]([CH3:25])[cH:16][cH:17][c:18](-[c:20]3[n:21][n:22][cH:23][nH:24]3)[cH:19]2)[c:10]1[C:11]#[N:12])[CH3:28])([CH3:29])[CH3:30].[OH2:31].[OH2:35]>>[CH3:1][C:2]([CH2:3][N:4]([c:5]1[n:6][cH:7][n:8][c:9]([NH:13][c:14]2[c:15]([CH3:25])[cH:16][cH:17][c:18](-[c:20]3[n:21][n:22][cH:23][nH:24]3)[cH:19]2)[c:10]1[C:11]#[N:12])[CH3:28])([CH3:29])[CH3:30]Participants
4
Sources & evidence
- ORD record
- ord-49eb07e51d894c5691b969d50a3c62ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…