Ethanol → HCID 54556252, compound
Reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21](=[O:22])[O:23][CH3:24])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[cH:25][c:26]([N:30]([C:31](=[N:32][C:33]#[N:34])[N:35]([CH3:36])[CH3:37])[CH3:38])[cH:27][c:28]2[CH3:29].[CH3:41][CH2:42][OH:43].[Na+:40].[OH-:39]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21](=[O:22])[OH:23])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[cH:25][c:26]([N:30]([C:31](=[N:32][C:33]#[N:34])[N:35]([CH3:36])[CH3:37])[CH3:38])[cH:27][c:28]2[CH3:29]Participants
5
Sources & evidence
- ORD record
- ord-775d1a04ddb04a71a8232d3b97bdc6ac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…