Ethanol → HCID 178457059, compound
Reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:48][CH2:49][OH:50].[Cl:33][c:34]1[n:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][c:43]12.[NH2:1][CH:2]1[C:3](=[O:25])[N:4]([CH:7]2[CH:8]([CH2:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1>>[NH:1]([CH:2]1[C:3](=[O:25])[N:4]([CH:7]2[CH:8]([CH2:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:9][CH:10]([N:13]([CH3:14])[CH:15]([CH3:16])[CH3:17])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1)[c:34]1[n:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][c:43]12Participants
5
Sources & evidence
- ORD record
- ord-7fba4e6abba5478a9bba2c6b327775a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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