Acetic Acid → HCID 178440075, compound
Reaction equation
[CH3:61][C:62](=[O:63])[OH:64].[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:58][CH2:59][CH3:60])[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29](-[c:34]4[n:35][n:36][n:37][n:38]4[C:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][c:14]1[o:15][c:16](=[O:20])[o:17][c:18]1[CH3:19]>>[OH:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH2:58][CH2:59][CH3:60])[n:8]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29](-[c:34]4[n:35][n:36][n:37][nH:38]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:9]1[C:10](=[O:11])[O:12][CH2:13][c:14]1[o:15][c:16](=[O:20])[o:17][c:18]1[CH3:19]Participants
3
Sources & evidence
- ORD record
- ord-532982df2b5b44509de08e901591bff1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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