Ethanol → HCID 73446798, compound
Reaction equation
[CH2:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:1][C:2]1=[CH:7][C:6](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[CH:5]=[C:4]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[O:3]1.[CH3:50][CH2:51][OH:52].[c:19]1([C:25]2=[N:26][N:27]([c:36]3[cH:37][cH:38][c:39]([CH:40]=[O:41])[cH:42][cH:43]3)[CH:28]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:29]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH:1]([C:2]1=[CH:7][C:6](=[C:8]([C:9]#[N:10])[C:11]#[N:12])[CH:5]=[C:4]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[O:3]1)=[CH:40][c:39]1[cH:38][cH:37][c:36]([N:27]2[N:26]=[C:25]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:29][CH:28]2[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:43][cH:42]1Participants
5
Sources & evidence
- ORD record
- ord-a9ad923964df40d696d9e854feea8157
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…