Ethanol → HCID 22171593, compound
Reaction equation
[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][OH:69].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[c:12]([OH:17])[cH:13][cH:14][cH:15][c:16]12)(=[O:18])=[O:19].[OH2:70].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][CH2:29][CH2:30][P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[c:7]1([C:59]([O:58][CH2:57][CH3:56])=[O:61])[cH:8][cH:9][cH:10][c:11]2[c:12]([OH:17])[cH:13][cH:14][cH:15][c:16]12Participants
8
Sources & evidence
- ORD record
- ord-b5d99aec6c0e4228819188fa0192d2e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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