Ethanol → HCID 57677580, compound
Reaction equation
[C:43]12([CH2:44][S:45]([OH:46])(=[O:47])=[O:48])[C:49]([CH3:50])([CH3:51])[CH:52]([CH2:53][CH2:54]1)[CH2:55][C:56]2=[O:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][CH2:66][OH:67].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:11]=[C:12]=[S:13])[cH:6][cH:7]1.[NH2:14][c:15]1[cH:16][c:17]([F:42])[c:18]([O:19][c:20]2[n:21][cH:22][n:23][c:24]([NH:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH2:33][CH2:34]3)[cH:25]2)[cH:40][cH:41]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][C:12](=[S:13])[NH:14][c:15]2[cH:16][c:17]([F:42])[c:18]([O:19][c:20]3[n:21][cH:22][n:23][c:24]([NH:26][C:27](=[O:28])[N:29]4[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH2:33][CH2:34]4)[cH:25]3)[cH:40][cH:41]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-5dcadf0fc90f47ca863a007838b0c4d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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