Acetic Acid → HCID 58345803, compound
Reaction equation
[C:40]([BH3-:41])#[N:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[Na+:43].[n:29]1[cH:30][cH:31][cH:32][c:33]2[c:38]1[C:37](=[O:39])[CH2:36][CH2:35][CH2:34]2.[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[CH3:26])[cH:27][cH:28]2)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[CH3:26])[cH:27][cH:28]2)[CH:37]2[CH2:36][CH2:35][CH2:34][c:33]3[cH:32][cH:31][cH:30][n:29][c:38]32)[n:3][cH:4][cH:5]1Participants
7
Sources & evidence
- ORD record
- ord-cd9719cccc3840a4b20d9045d5e9dc88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…