Ethanol → HCID 178512399, compound
Reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:47][CH2:48][OH:49].[IH:30].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1.[NH2:31][c:32]1[c:33]([C:40](=[O:41])[NH:42][C:43]([S:44][CH3:45])=[NH:46])[n:34][c:35]([Cl:39])[c:36]([NH2:38])[n:37]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1)[C:43](=[N:42][C:40]([c:33]1[c:32]([NH2:31])[n:37][c:36]([NH2:38])[c:35]([Cl:39])[n:34]1)=[O:41])[NH2:46]Participants
6
Sources & evidence
- ORD record
- ord-d2e78268695442528589f3fd5c94ff5b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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