Acetic Acid → HCID 68725159, compound
Reaction equation
[C:57]([OH:58])(=[O:59])[CH3:60].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]3[n:10][cH:11][n:12][c:13](-[c:17]4[c:18]([F:23])[n:19][cH:20][cH:21][cH:22]4)[c:14]3[n:15][cH:16]2)[cH:24][cH:25]1.[CH3:47][Si:48]([N-:49][Si:50]([CH3:51])([CH3:52])[CH3:53])([CH3:54])[CH3:55].[CH3:66][OH:67].[Li+:56].[NH2:26][c:27]1[c:28]([CH3:46])[cH:29][cH:30][c:31]2[c:32]([NH:37][c:38]3[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]3)[n:33][cH:34][n:35][c:36]12>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[c:9]3[n:10][cH:11][n:12][c:13](-[c:17]4[c:18]([NH:26][c:27]5[c:28]([CH3:46])[cH:29][cH:30][c:31]6[c:32]([NH:37][c:38]7[cH:39][cH:40][c:41]([C:42]#[N:43])[cH:44][cH:45]7)[n:33][cH:34][n:35][c:36]56)[n:19][cH:20][cH:21][cH:22]4)[c:14]3[n:15][cH:16]2)[cH:24][cH:25]1Participants
8
Sources & evidence
- ORD record
- ord-37dcc415929f477a91cc94e085c12aab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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