Ethanol → HCID 178431505, compound
Reaction equation
[CH3:49][CH2:50][OH:51].[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[CH3:7][C:8]1([CH3:9])[C:10]([CH3:11])([CH3:12])[O:13][B:14]([c:15]2[cH:16][cH:17][c:18]([NH2:19])[cH:20][cH:21]2)[O:22]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:58].[c:23]1([S:29](=[O:30])(=[O:31])[C:32]([CH3:33])([CH3:34])[c:35]2[n:36][c:37]([Cl:48])[n:38][c:39]([N:41]3[CH:42]([CH3:47])[CH2:43][O:44][CH2:45][CH2:46]3)[cH:40]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[c:15]1(-[c:37]2[n:36][c:35]([C:32]([S:29]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)(=[O:30])=[O:31])([CH3:33])[CH3:34])[cH:40][c:39]([N:41]3[CH:42]([CH3:47])[CH2:43][O:44][CH2:45][CH2:46]3)[n:38]2)[cH:16][cH:17][c:18]([NH2:19])[cH:20][cH:21]1Participants
9
Sources & evidence
- ORD record
- ord-07e5a29ef50e4d8db0b58b7d73dec7f2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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