Ethanol → HCID 178453521, compound
Reaction equation
[CH3:53][CH2:54][OH:55].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:12][c:13]2[cH:14][cH:15]1.[NH2:28][c:29]1[c:30]([C:37](=[O:38])[NH:39][C:40](=[NH:41])[S:42][CH3:43])[n:31][c:32]([Cl:36])[c:33]([NH2:35])[n:34]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:16][CH2:17][CH2:18][CH2:19][NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:12][c:13]2[cH:14][cH:15]1)[C:40]([NH:39][C:37]([c:30]1[c:29]([NH2:28])[n:34][c:33]([NH2:35])[c:32]([Cl:36])[n:31]1)=[O:38])=[NH:41]Participants
5
Sources & evidence
- ORD record
- ord-49afa0658e1d4de4b477c98d028d12b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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