Acetic Acid → HCID 178439990, compound
Reaction equation
[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:1][n:2]1[c:3]([CH3:50])[n:4][c:5]2[c:6]1[n:7]([CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][n:30]4[C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]1)[c:8]([CH2:10][CH2:11][CH3:12])[n:9]2>>[CH3:1][n:2]1[c:3]([CH3:50])[n:4][c:5]2[c:6]1[n:7]([CH2:13][c:14]1[cH:15][cH:16][c:17](-[c:20]3[c:21](-[c:26]4[n:27][n:28][n:29][nH:30]4)[cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]1)[c:8]([CH2:10][CH2:11][CH3:12])[n:9]2Participants
3
Sources & evidence
- ORD record
- ord-77f57fb6a3b34e89bbcaf23c5b13df78
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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