Acetic Acid → HCID 178482434, compound
Reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[C:53](=[O:54])([OH:55])[O-:56].[CH3:1][NH:2][C:3]1=[N:7][C:6](=[O:8])[C:5](=[CH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[CH2:17][CH2:18][C:19](=[O:22])[CH2:20][CH2:21]3)[cH:14][cH:15]2)[S:4]1.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][C:64](=[O:65])[OH:66].[Na+:52].[Na+:57].[OH:23][CH:24]([CH2:25][O:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[nH:32][c:33](=[O:36])[nH:34][c:35]12)[CH2:37][NH2:38]>>[CH3:1][NH:2][C:3]1=[N:7][C:6](=[O:8])[C:5](=[CH:9][c:10]2[cH:11][cH:12][c:13]([N:16]3[CH2:17][CH2:18][CH:19]([NH:38][CH2:37][CH:24]([OH:23])[CH2:25][O:26][c:27]4[cH:28][cH:29][cH:30][c:31]5[nH:32][c:33](=[O:36])[nH:34][c:35]45)[CH2:20][CH2:21]3)[cH:14][cH:15]2)[S:4]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-059e938948b3449bb90381eab23abea5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…