Acetic Acid → HCID 10171525, compound
Reaction equation
[C:22]([OH:23])(=[O:24])[CH3:25].[CH2:5]([N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH3:21].[CH3:26][O:27][C:28]([CH2:29][N:30]([CH2:31][c:32]1[cH:33][c:34]2[cH:35][cH:36][nH:37][c:38]2[cH:39][cH:40]1)[S:41](=[O:42])(=[O:43])[NH:44][C:45]([O:47][CH2:48][CH2:49][Si:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])=[O:46].[CH3:55][C:56]#[N:57].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[CH3:70][S:71]([CH3:72])=[O:73].[ClH:63].[F-:4].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:1].[OH2:2].[OH2:3].[OH2:69]>>[CH2:29]1[N:30]([CH2:31][c:32]2[cH:33][c:34]3[cH:35][cH:36][nH:37][c:38]3[cH:39][cH:40]2)[S:41](=[O:42])(=[O:43])[NH:44][C:45]1=[O:47]Participants
11
Sources & evidence
- ORD record
- ord-f5e3743df3d549d3b391403468b1fd87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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