Ethanol → HCID 178431510, compound
Reaction equation
[CH3:50][CH2:51][OH:52].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[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.[Cl:23][c:24]1[n:25][c:26]([N:43]2[CH:44]([CH3:49])[CH2:45][O:46][CH2:47][CH2:48]2)[cH:27][c:28]([C:30]([CH3:31])([CH3:32])[S:33](=[O:34])(=[O:35])[c:36]2[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]2)[n:29]1.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59]>>[c:15]1(-[c:24]2[n:25][c:26]([N:43]3[CH:44]([CH3:49])[CH2:45][O:46][CH2:47][CH2:48]3)[cH:27][c:28]([C:30]([CH3:31])([CH3:32])[S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][c:39]([Cl:42])[cH:40][cH:41]3)[n:29]2)[cH:16][cH:17][c:18]([NH2:19])[cH:20][cH:21]1Participants
9
Sources & evidence
- ORD record
- ord-0367d13103ac42108f09fd7a5416dd24
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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