Acetic Acid → HCID 60204510, compound
Reaction equation
[C:28]([OH:29])(=[O:30])[CH3:31].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[Cl:20][c:21]1[n:22][cH:23][c:24]([F:27])[cH:25][n:26]1.[Cl:32][C:33]1=[C:44]([Cl:45])[C:42](=[O:43])[C:39]([C:40]#[N:41])=[C:36]([C:37]#[N:38])[C:34]1=[O:35].[F:6][c:7]1[cH:8][cH:9][c:10]([N:13]([c:14]2[cH:15][n:16][cH:17][s:18]2)[CH3:19])[cH:11][cH:12]1.[OH2:57]>>[F:6][c:7]1[cH:8][cH:9][c:10]([N:13]([c:14]2[cH:15][n:16][c:17](-[c:25]3[c:24]([F:27])[cH:23][n:22][c:21]([Cl:20])[n:26]3)[s:18]2)[CH3:19])[cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-b95d5ccde24d48ce9adcb9f34ce22cac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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