Acetic Acid → HCID 69987769, compound
Reaction equation
[C:59]([BH3-:60])#[N:61].[CH3:39][C:40](=[O:41])[OH:42].[CH3:63][C:64]#[N:65].[CH3:66][OH:67].[Cl:34][Si:35]([Cl:36])([Cl:37])[CH3:38].[Cl:68][CH2:69][Cl:70].[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][CH:22]([O:23][CH3:24])[O:25][CH3:26])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:27][c:28]([F:31])[cH:29][cH:30]1.[I-:33].[NH2:43][CH2:44][CH:45]([OH:46])[c:47]1[cH:48][cH:49][c:50]([OH:58])[c:51]([NH:53][S:54](=[O:55])(=[O:56])[CH3:57])[cH:52]1.[Na+:32].[Na+:62]>>[F:1][c:2]1[c:3]([CH2:4][NH:5][C:6](=[O:7])[N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][NH:43][CH2:44][CH:45]([OH:46])[c:47]4[cH:48][cH:49][c:50]([OH:58])[c:51]([NH:53][S:54](=[O:55])(=[O:56])[CH3:57])[cH:52]4)[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:27][c:28]([F:31])[cH:29][cH:30]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-1362659839c040f6b6767d1c8b62b5f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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