Ethanol → HCID 178502242, compound
Reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:64][CH2:65][OH:66].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[Na+:62].[Na+:63].[s:46]1[c:47]2[c:48]([cH:49][c:50]1[B:51]([OH:52])[OH:53])[cH:54][cH:55][cH:56][cH:57]2>>[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41](-[c:50]2[s:46][c:47]3[c:48]([cH:49]2)[cH:54][cH:55][cH:56][cH:57]3)[cH:42][cH:43]1)=[O:45]Participants
7
Sources & evidence
- ORD record
- ord-7adbd5fffdc048018f2b06c86e3d327d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…