Acetic Acid → HCID 21918729, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13].[CH3:28][C:29](=[O:30])[OH:31].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][cH:23][c:24]([NH2:25])[cH:26][cH:27]1.[SH:32][CH2:33][C:34](=[O:35])[OH:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:8]2[N:25]([c:24]3[cH:23][cH:22][c:21]([N+:18](=[O:19])[O-:20])[cH:27][cH:26]3)[C:34](=[O:35])[CH2:33][S:32]2)[cH:10][c:11]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:12]1[OH:13]Participants
6
Sources & evidence
- ORD record
- ord-814e2cfe3b444b749a9597d2c80ca63e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…