Ethanol → HCID 178487270, compound
Reaction equation
[C:46]([CH3:47])(=[O:48])[NH:49][c:50]1[cH:51][cH:52][c:53]([SH:56])[cH:54][cH:55]1.[CH3:57][C:58]([O:59][C:60](=[O:61])[CH3:62])=[O:63].[CH3:64][CH2:65][OH:66].[CH:1]1([C:2]2=[N:7][NH:6][C:4](=[O:5])[CH2:3]2)[CH2:8][CH2:9]1.[Cl:10][c:11]1[c:12]2[c:13]([cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19]2)[n+:20]([O-:21])[cH:22][cH:23]1.[Cl:24][C:25]1=[CH:26][C:27](=[C:37]2[C:38]([CH:43]3[CH2:44][CH2:45]3)=[N:39][NH:40][C:41]2=[O:42])[NH:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][c:34]21>>[C:25]1([S:56][c:53]2[cH:52][cH:51][c:50]([NH:49][C:46]([CH3:47])=[O:48])[cH:55][cH:54]2)=[CH:26][C:27](=[C:37]2[C:38]([CH:43]3[CH2:44][CH2:45]3)=[N:39][NH:40][C:41]2=[O:42])[NH:28][c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][c:34]21Participants
7
Sources & evidence
- ORD record
- ord-bdf66fee3e6e4892b55a69b21722a92a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…