Acetic Acid → HCID 178432377, compound
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:25][c:26]1[n:27][n:28]2[c:29]([n:30][c:31](-[c:40]3[cH:41][cH:42][c:43]([CH:44]=[O:45])[cH:46][cH:47]3)[c:32](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:33]2)[n:48]1.[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[ClH:8].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[s:9]1[c:10](-[c:14]2[n:15][c:16]([CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:17][nH:18]2)[n:11][cH:12][cH:13]1>>[s:9]1[c:10](-[c:14]2[n:15][c:16]([CH:19]3[CH2:20][CH2:21][N:22]([CH2:44][c:43]4[cH:42][cH:41][c:40](-[c:31]5[n:30][c:29]6[n:28]([n:27][c:26]([CH3:25])[n:48]6)[cH:33][c:32]5-[c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[cH:47][cH:46]4)[CH2:23][CH2:24]3)[n:17][nH:18]2)[n:11][cH:12][cH:13]1Participants
8
Sources & evidence
- ORD record
- ord-1ec1f9b5292a4966afa5e4fe89a73ff6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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