Acetic Acid → HCID 57732802, compound
Reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:28](=[O:29])[NH2:30])[cH:17][c:18](-[c:21]4[cH:22][s:23][c:24]([CH:26]=[O:27])[cH:25]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:31][NH:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:57][S:58](=[O:59])[CH3:60].[Na+:56]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:28](=[O:29])[NH2:30])[cH:17][c:18](-[c:21]4[cH:22][s:23][c:24]([CH2:26][N:32]([CH3:31])[CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:25]4)[cH:19][c:20]23)[CH2:10][CH2:11]1Participants
7
Sources & evidence
- ORD record
- ord-ae1a0f6aed5d426d83d05ad9c69b7e97
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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