Acetic Acid → HCID 42629031, compound
Reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[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][C:32](=[O:33])[OH:34].[CH3:35][CH:36]1[NH:37][CH2:38][CH2:39][CH2:40]1.[CH3:55][S:56](=[O:57])[CH3:58].[Na+:54]>>[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:37]5[CH:36]([CH3:35])[CH2:40][CH2:39][CH2:38]5)[cH:25]4)[cH:19][c:20]23)[CH2:10][CH2:11]1Participants
7
Sources & evidence
- ORD record
- ord-27835851e92644a18624327828fb6651
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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