Ethanol → HCID 10119303, compound
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][C:5]1([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21]([CH2:22][c:23]3[cH:24][c:25]4[c:26]([n:27][c:28]([NH:30][c:31]5[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]5)[o:29]4)[cH:38][cH:39]3)=[O:40])[cH:18][cH:19]2)[CH2:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21)=[O:41].[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[O:2]=[C:3]([CH2:4][C:5]1([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21]([CH2:22][c:23]3[cH:24][c:25]4[c:26]([n:27][c:28]([NH:30][c:31]5[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]5)[o:29]4)[cH:38][cH:39]3)=[O:40])[cH:18][cH:19]2)[CH2:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21)[OH:41]Participants
5
Sources & evidence
- ORD record
- ord-a1e954956f3c4e5681e2c9aac9467745
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…