Ethanol → HCID 57677693, compound
Reaction equation
[C:29](#[N:30])[CH3:31].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:56][CH2:57][OH:58].[F:32][c:33]1[cH:34][cH:35][c:36]([CH2:39][C:40](=[O:41])[N:42]=[C:43]=[S:44])[cH:37][cH:38]1.[NH2:1][c:2]1[cH:3][c:4]([F:28])[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]4[CH2:23][CH2:24][CH2:25]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:26][cH:27]1.[Na+:51].[OH:52][C:53](=[O:54])[O-:55]>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[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]4[CH2:23][CH2:24][CH2:25]4)[CH2:20][CH2:21]3)[n:10][cH:11][n:12]2)[cH:26][cH:27]1)[C:43]([NH:42][C:40]([CH2:39][c:36]1[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]1)=[O:41])=[S:44]Participants
8
Sources & evidence
- ORD record
- ord-b2b2eec90c034bf498ea6f5dbd164e9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…