Acetic Acid → HCID 42629031, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[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]([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][N:36]1[CH:37]([CH3:41])[CH2:38][CH2:39][CH2:40]1.[CH3:56][S:57](=[O:58])[CH3:59].[Na+: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]([CH2:26][N:36]5[CH:37]([CH3:41])[CH2:38][CH2:39][CH2:40]5)[cH:25]4)[cH:19][c:20]23)[CH2:10][CH2:11]1Participants
7
Sources & evidence
- ORD record
- ord-daa1021c94ab4e5c8cea6d64deb0b2ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…