Ethanol → HCID 68084725, compound
Reaction equation
[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH3:70][CH2:71][OH:72].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]3[n:16]([c:30]2-[c:31]2[cH:32][cH:33][c:34]([C:37]4([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:38][CH2:39][CH2:40]4)[cH:35][cH:36]2)-[c:17]2[c:18]([n:26][cH:27][cH:28][cH:29]2)[NH:19][c:20]2[c:21]-3[cH:22][cH:23][cH:24][cH:25]2)[cH:11][cH:12]1)(=[O:49])=[O:50].[NH2:51][C:52](=[O:53])[c:54]1[cH:55][cH:56][c:57]([B:60]([OH:61])[OH:62])[cH:58][cH:59]1>>[c:7]1(-[c:57]2[cH:56][cH:55][c:54]([C:52]([NH2:51])=[O:53])[cH:59][cH:58]2)[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]3[n:16]([c:30]2-[c:31]2[cH:32][cH:33][c:34]([C:37]4([NH:41][C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:38][CH2:39][CH2:40]4)[cH:35][cH:36]2)-[c:17]2[c:18]([n:26][cH:27][cH:28][cH:29]2)[NH:19][c:20]2[c:21]-3[cH:22][cH:23][cH:24][cH:25]2)[cH:11][cH:12]1Participants
5
Sources & evidence
- ORD record
- ord-90d1445595284fa2bfa678d591acf307
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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