Ethanol → HCID 178440346, compound
Reaction equation
[C:44]([CH3:45])(=[O:46])[NH:47][c:48]1[cH:49][cH:50][c:51]([SH:54])[cH:52][cH:53]1.[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C:6]([CH2:7][CH2:8][CH3:9])=[N:10]1.[CH3:55][C:56]([O:57][C:58](=[O:59])[CH3:60])=[O:61].[CH3:62][CH2:63][OH:64].[Cl:11][c:12]1[c:13]2[c:14]([cH:15][cH:16][cH:17][cH:18]2)[n+:19]([O-:20])[cH:21][cH:22]1.[Cl:23][C:24]1=[CH:25][C:26](=[C:34]2[C:35]([CH2:41][CH2:42][CH3:43])=[N:36][N:37]([CH3:40])[C:38]2=[O:39])[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21>>[C:24]1([S:54][c:51]2[cH:50][cH:49][c:48]([NH:47][C:44]([CH3:45])=[O:46])[cH:53][cH:52]2)=[CH:25][C:26](=[C:34]2[C:35]([CH2:41][CH2:42][CH3:43])=[N:36][N:37]([CH3:40])[C:38]2=[O:39])[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21Participants
7
Sources & evidence
- ORD record
- ord-897074f1de8a47c39a2d7ecbccaae9ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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