Ethanol → HCID 57677542, compound
Reaction equation
[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:52][CH2:53][OH:54].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[F:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][C:36](=[O:37])[N:38]=[C:39]=[S:40])[cH:33][cH:34]1.[NH2:1][c:2]1[cH:3][c:4]([F:27])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([N:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:25][cH:26]1.[Na+:47].[OH:48][C:49](=[O:50])[O-:51]>>[NH:1]([c:2]1[cH:3][c:4]([F:27])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[N:16]3[CH2:17][CH2:18][CH:19]([N:22]([CH3:23])[CH3:24])[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:25][cH:26]1)[C:39]([NH:38][C:36]([CH2:35][c:32]1[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]1)=[O:37])=[S:40]Participants
8
Sources & evidence
- ORD record
- ord-90275610c2ac49b2849d977561db3f60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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