Ethanol → HCID 178473216, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:49][CH3:50])[CH2:8][CH:9]([NH:20][C:21]2=[N:22][NH:23][N:24]([CH2:41][C:42]([CH3:43])([CH3:44])[C:45](=[O:46])[O:47][CH3:48])[N:25]2[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:51][CH2:52][OH:53]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:49][CH3:50])[CH2:8][CH:9]([NH:20][C:21]2=[N:22][NH:23][N:24]([CH2:41][C:42]([CH3:43])([CH3:44])[C:45](=[O:46])[OH:47])[N:25]2[CH2:26][c:27]2[cH:28][c:29]([C:37]([F:38])([F:39])[F:40])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21Participants
3
Sources & evidence
- ORD record
- ord-288d7bb663ea45cc881d5552ad260812
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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