Acetic Acid → HCID 69481699, compound
Reaction equation
[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:18][CH2:19][CH2:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:49][C:50](=[O:51])[OH:52].[Na+:53].[OH:54][C:55](=[O:56])[O-:57].[OH:58][C:59]([C:60]([F:61])([F:62])[F:63])=[O:64].[c:35]1(-[c:41]2[cH:42][cH:43][c:44]([CH:45]=[O:46])[cH:47][cH:48]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([CH2:45][c:44]3[cH:43][cH:42][c:41](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:48][cH:47]3)[CH2:18][CH2:19][CH2:20]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1Participants
8
Sources & evidence
- ORD record
- ord-13cbacbe9b5a4449867aa0a5bae10220
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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