Acetic Acid → HCID 21468098, compound
Reaction equation
[CH3:44][C:45]([OH:46])=[O:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH:26]1([N:27]=[C:28]=[N:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[Cl:41][CH2:42][Cl:43].[OH:1][CH:2]([CH2:3][CH2:4][CH:5]([CH3:6])[CH3:7])[c:8]1[c:9]([O:24][CH3:25])[c:10]2[c:11]([O:22][CH3:23])[cH:12][cH:13][c:14]([O:20][CH3:21])[c:15]2[c:16]([O:18][CH3:19])[cH:17]1>>[O:1]([CH:2]([CH2:3][CH2:4][CH:5]([CH3:6])[CH3:7])[c:8]1[c:9]([O:24][CH3:25])[c:10]2[c:11]([O:22][CH3:23])[cH:12][cH:13][c:14]([O:20][CH3:21])[c:15]2[c:16]([O:18][CH3:19])[cH:17]1)[C:45]([CH3:44])=[O:46]Participants
7
Sources & evidence
- ORD record
- ord-f64bee2282a84273b030ea45932464a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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