Acetic Acid → HCID 178442598, compound
Reaction equation
[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([O:28][CH2:29][CH2:30][C:31]#[C:32][CH2:33][CH2:34][O:35][C:36]([c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)([c:43]5[cH:44][cH:45][cH:46][cH:47][cH:48]5)[c:49]5[cH:50][cH:51][cH:52][cH:53][cH:54]5)[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[CH2:24][CH2:25][C:26]12[CH3:27].[CH3:55][C:56](=[O:57])[OH:58].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH2:59]>>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([O:28][CH2:29][CH2:30][C:31]#[C:32][CH2:33][CH2:34][OH:35])[CH2:19][CH2:20][C:21]4([CH3:22])[CH:23]3[CH2:24][CH2:25][C:26]12[CH3:27]Participants
5
Sources & evidence
- ORD record
- ord-a3d5450405f348a1ae56a3a397e029c5
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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