Tetrahydrofuran → 5-(3,3-Dimethyl-but-1-ynyl)-3-{(4-methyl-cyclohexanecarbonyl)-[4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-cyclohexyl]-amino}-thiophene-2-carboxylic acid methyl ester
Reaction equation
[CH2:73]([N:74]([CH2:75][CH3:76])[CH2:77][CH3:78])[CH3:79].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]1.[CH3:33][n:34]1[c:35]([SH:39])[n:36][n:37][cH:38]1.[O:59]=[C:60]([O:61][CH:62]([CH3:63])[CH3:64])[N:65]=[N:66][C:67]([O:68][CH:69]([CH3:70])[CH3:71])=[O:72].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:27]#[C:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:8][c:9]1[N:10]([C:11](=[O:12])[CH:13]1[CH2:14][CH2:15][CH:16]([CH3:19])[CH2:17][CH2:18]1)[CH:20]1[CH2:21][CH2:22][CH:23]([S:39][c:35]2[n:34]([CH3:33])[cH:38][n:37][n:36]2)[CH2:24][CH2:25]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-471a4e3b6f954722a9675c0aa29744b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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