Ethanol → HCID 178473222, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([N:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([C:16]#[N:17])[cH:13][cH:14][c:15]21.[CH3:48][CH2:49][OH:50]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:46][CH3:47])[CH2:8][CH:9]([NH:18][c:19]2[n:20][cH:21][c:22]([N:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[c:23]([CH2:25][c:26]3[cH:27][c:28]([C:36]([F:37])([F:38])[F:39])[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]3)[n:24]2)[c:10]2[n:11][c:12]([CH2:16][NH2:17])[cH:13][cH:14][c:15]21Participants
3
Sources & evidence
- ORD record
- ord-24eaa452c4e8404d97914cbb3562c65e
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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