Thiophenol → ethyl 6-methyl-8-[(phenylthio)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylate
Reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[O:49]=[C:50]([O:51][CH2:52][CH3:53])[N:54]=[N:55][C:56]([O:57][CH2:58][CH3:59])=[O:60].[OH:20][CH2:21][c:22]1[cH:23][c:24]([CH3:41])[cH:25][c:26]2[c:31]1[O:30][CH:29]([C:32]([F:33])([F:34])[F:35])[C:28]([C:36](=[O:37])[O:38][CH2:39][CH3:40])=[CH:27]2.[SH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH2:21]([c:22]1[cH:23][c:24]([CH3:41])[cH:25][c:26]2[c:31]1[O:30][CH:29]([C:32]([F:33])([F:34])[F:35])[C:28]([C:36](=[O:37])[O:38][CH2:39][CH3:40])=[CH:27]2)[S:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-3677840524cb4f51a264dd44e0265338
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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