Acetic Acid → HCID 178424198, compound
Reaction equation
[CH3:19][c:20]1[cH:21][cH:22][cH:23][c:24]2[cH:25][c:26]([CH2:37][OH:38])[c:27](-[c:30]3[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]3)[n:28][c:29]12.[CH3:41][S:42]([CH3:43])=[O:44].[CH3:45][C:46](=[O:47])[OH:48].[Cl:1][c:2]1[c:3]2[nH:4][cH:5][n:6][c:7]2[n:8][cH:9][n:10]1.[H-:39].[N:11]12[CH2:12][CH2:13][N:14]([CH2:15][CH2:16]1)[CH2:17][CH2:18]2.[Na+:40]>>[c:2]1([O:38][CH2:37][c:26]2[cH:25][c:24]3[cH:23][cH:22][cH:21][c:20]([CH3:19])[c:29]3[n:28][c:27]2-[c:30]2[c:31]([CH3:36])[cH:32][cH:33][cH:34][cH:35]2)[c:3]2[n:4][cH:5][nH:6][c:7]2[n:8][cH:9][n:10]1Participants
8
Sources & evidence
- ORD record
- ord-2941ec6297ee47afa24d5f8554b6f9cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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