Acetic Acid → HCID 86618244, compound
Reaction equation
[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][c:2]1[n:3]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:4]2[cH:5][cH:6][cH:7][c:8]([CH:11]=[O:12])[c:9]2[cH:10]1.[CH3:35][C:36](=[O:37])[OH:38].[Na+:52]>>[CH3:1][c:2]1[n:3]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:4]2[cH:5][cH:6][cH:7][c:8]([CH2:11][N:32]3[CH2:31][CH2:30][N:29]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:34][CH2:33]3)[c:9]2[cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-1fd4fb78f2f74cbe8805453cabae70a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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