Acetic Acid → HCID 178458598, compound
Reaction equation
[C:50]([OH:51])(=[O:52])[CH3:53].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:32]#[N:33])[cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:31])[N:18]=[C:19]([NH:21][CH:22]4[CH:23]([c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[CH2:24]4)[S:20]3)[n:13][c:14]12.[CH:34]([O:35][c:36]1[cH:37][cH:38][n:39][c:40]2[c:41]1[n:42][c:43]([CH:44]=[O:45])[cH:46][cH:47]2)([CH3:48])[CH3:49].[OH2:54]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11][c:12]([CH:15]=[C:16]3[C:17](=[O:31])[N:18]=[C:19]([NH:21][CH:22]4[CH:23]([c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[CH2:24]4)[S:20]3)[n:13][c:14]12Participants
5
Sources & evidence
- ORD record
- ord-de4075e6c1424dcea3f5af6dd5bc4f16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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