Dimethyl Sulfoxide → 4-(4-{3-[5-(2-fluoro-1-fluoromethyl-1-methyl-ethyl)-2-p-tolyl-2H-pyrazol-3-yl]-ureido}-isoquinolin-1-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
Reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[N:44]1[CH2:45][CH2:46][CH:47]([O:50][c:51]2[n:52][cH:53][c:54]([NH2:61])[c:55]3[cH:56][cH:57][cH:58][cH:59][c:60]23)[CH2:48][CH2:49]1.[CH3:63][S:64]([CH3:65])=[O:66].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][C:2]([Cl:3])([Cl:4])[CH2:26][O:27][C:5]([NH:6][c:7]1[n:8](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[n:9][c:10]([C:12]([CH2:13][F:14])([CH3:15])[CH2:16][F:17])[cH:11]1)=[O:25].[OH2:62]>>[C:5]([NH:6][c:7]1[n:8](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[n:9][c:10]([C:12]([CH2:13][F:14])([CH3:15])[CH2:16][F:17])[cH:11]1)(=[O:25])[NH:61][c:54]1[cH:53][n:52][c:51]([O:50][CH:47]2[CH2:46][CH2:45][N:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH2:49][CH2:48]2)[c:60]2[c:55]1[cH:56][cH:57][cH:58][cH:59]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-1369318fdcf141a98fc1e54a570f1c25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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