Acetic Acid → HCID 178510297, compound
Reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[CH:1]([O:2][c:5]1[c:6]([C:29]#[N:30])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:28])[N:18]=[C:19]([NH:21][CH2:22][c:23]4[s:24][cH:25][cH:26][cH:27]4)[S:20]3)[n:13][c:14]12)([CH3:3])[CH3:4].[CH:31]([c:32]1[n:33][c:34]2[c:35]([cH:36][cH:37]1)[n:38][cH:39][c:40]([C:41]#[N:42])[cH:43]2)=[O:44].[OH2:49]>>[cH:5]1[c:6]([C:29]#[N:30])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:28])[N:18]=[C:19]([NH:21][CH2:22][c:23]4[s:24][cH:25][cH:26][cH:27]4)[S:20]3)[n:13][c:14]12Participants
5
Sources & evidence
- ORD record
- ord-6ff92161a95241519a055f5cbf5ed032
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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