Acetic Acid → HCID 178488364, compound
Reaction equation
[C:61]([OH:62])(=[O:63])[CH3:64].[Na+:66].[O:1]=[C:2]([CH2:3][O:4][C:5]1([O:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[C:18]1([OH:59])[CH2:19][c:20]2[c:21]([OH:58])[c:22]3[c:31]([c:32]([OH:53])[c:33]2[CH:34]([O:36][CH:37]2[CH2:38][CH:39]4[CH:40]([O:41][CH:42]5[CH:43]([O:48][CH3:49])[O:44][CH2:45][CH2:46][N:47]45)[CH:50]([CH3:52])[O:51]2)[CH2:35]1)[C:30](=[O:54])[c:29]1[c:24]([cH:25][cH:26][cH:27][c:28]1[O:55][CH3:56])[C:23]3=[O:57].[OH-:65].[OH2:60]>>[O:1]=[C:2]([CH2:3][O:4][C:5]1([O:11][CH2:12][C:13](=[O:14])[OH:15])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[C:18]1([OH:59])[CH2:19][c:20]2[c:21]([OH:58])[c:22]3[c:31]([c:32]([OH:53])[c:33]2[CH:34]([O:36][CH:37]2[CH2:38][CH:39]4[CH:40]([O:41][CH:42]5[CH:43]([O:48][CH3:49])[O:44][CH2:45][CH2:46][N:47]45)[CH:50]([CH3:52])[O:51]2)[CH2:35]1)[C:30](=[O:54])[c:29]1[c:24]([cH:25][cH:26][cH:27][c:28]1[O:55][CH3:56])[C:23]3=[O:57]Participants
6
Sources & evidence
- ORD record
- ord-1a5386537a264951bde37b73e45dc8d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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