Acetic Acid → HCID 68780522, compound
Reaction equation
[C:48]([BH3-:49])#[N:50].[CH2:20]([CH3:21])[O:22][c:23]1[cH:24][c:25]([CH:26]=[O:27])[cH:28][c:29]([O:32][CH2:33][CH3:34])[c:30]1[F:31].[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH3:1][O:2][c:3]1[n:4][c:5]([NH:16][CH2:17][CH2:18][OH:19])[n:6][c:7]([NH:9][CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[n:8]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:58][CH2:59][OH:60].[Na+:51].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[OH2:61]>>[CH3:1][O:2][c:3]1[n:4][c:5]([NH:16][CH2:17][CH2:18][OH:19])[n:6][c:7]([NH:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:26][c:25]3[cH:24][c:23]([O:22][CH2:20][CH3:21])[c:30]([F:31])[c:29]([O:32][CH2:33][CH3:34])[cH:28]3)[CH2:14][CH2:15]2)[n:8]1Participants
10
Sources & evidence
- ORD record
- ord-7f70e22291e34e3b8e97c425da226c13
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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