Ethanol → HCID 178464393, compound
Reaction equation
[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[IH:24].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[S:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:20][CH3:21].[s:25]1[c:26]([C:30](=[NH:31])[S:32][CH3:33])[cH:27][cH:28][cH:29]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)[S:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:20][CH3:21])[C:30]([c:26]1[s:25][cH:29][cH:28][cH:27]1)=[NH:31]Participants
6
Sources & evidence
- ORD record
- ord-ed55d3f1c90d4a97b2d2f6e151a0d0b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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