Acetic Acid → HCID 178473212, compound
Reaction equation
[CH2:13]([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH:19]([CH2:58][CH3:59])[CH2:20][CH:21]([NH:32][c:33]2[n:34][c:35]([S:54]([CH3:55])(=[O:56])=[O:57])[n:36][cH:37][c:38]2[CH2:39][c:40]2[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][c:27]21.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][OH:8])[cH:9][cH:10]1.[CH3:60][C:61](=[O:62])[OH:63].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[H-:11].[Na+:12].[OH2:75]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:35]2[n:34][c:33]([NH:32][CH:21]3[CH2:20][CH:19]([CH2:58][CH3:59])[N:18]([C:16]([O:15][CH2:13][CH3:14])=[O:17])[c:27]4[c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26]4)[c:38]([CH2:39][c:40]3[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)[cH:37][n:36]2)[cH:9][cH:10]1Participants
9
Sources & evidence
- ORD record
- ord-600129d98d1947ca9b5ea71372aab5c6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…