Ethanol → HCID 178511914, compound
Reaction equation
[CH3:34][CH2:35][OH:36].[H:22][H:23].[IH:24].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[c:10]2[cH:11][cH:12]1.[s:25]1[c:26]([C:30](=[NH:31])[S:32][CH3:33])[cH:27][cH:28][cH:29]1>>[NH:1]([c:4]1[cH:5][c:6]2[cH:7][cH:8][n:9]([CH2:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[c:10]2[cH:11][cH:12]1)[C:30]([c:26]1[s:25][cH:29][cH:28][cH:27]1)=[NH:31]Participants
6
Sources & evidence
- ORD record
- ord-804abb156abe48dd89910229af0827b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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