Ethanol → HCID 178453552, compound
Reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([NH:31][CH2:32][CH2:33][C:34]([NH:35][c:36]1[cH:37][cH:38][c:39]([CH2:42][CH2:43][CH2:44][CH2:45][NH2:46])[cH:40][cH:41]1)=[O:47])=[O:48].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:49][CH2:50][OH:51].[IH:1].[NH2:2][c:3]1[c:4]([C:11](=[O:12])[NH:13][C:14]([S:15][CH3:16])=[NH:17])[n:5][c:6]([Cl:10])[c:7]([NH2:9])[n:8]1>>[NH2:2][c:3]1[c:4]([C:11](=[O:12])[N:13]=[C:14]([NH2:17])[NH:46][CH2:45][CH2:44][CH2:43][CH2:42][c:39]2[cH:38][cH:37][c:36]([NH:35][C:34]([CH2:33][CH2:32][NH:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:48])=[O:47])[cH:41][cH:40]2)[n:5][c:6]([Cl:10])[c:7]([NH2:9])[n:8]1Participants
6
Sources & evidence
- ORD record
- ord-25c57b2678214f7d8e4ab53887a22bec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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