Dimethyl Sulfoxide → N-(3-Fluoro-4-(2-(3-((2-methoxyethylamino)methyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

HRID 182181Notes

Reaction equation

HRID 182181 reaction equation
[CH3:57][S:58]([CH3:59])=[O:60].[Cl:61][CH2:62][Cl:63].[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][c:16]([CH2:17][N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH2:27][O:28][CH3:29])[cH:30][cH:31][cH:32]2)[s:13]3)[cH:33][cH:34][c:35]([NH:37][C:38](=[S:39])[NH:40][C:41]([CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[cH:36]1.[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][c:16]([CH2:17][NH:18][CH2:26][CH2:27][O:28][CH3:29])[cH:30][cH:31][cH:32]2)[s:13]3)[cH:33][cH:34][c:35]([NH:37][C:38](=[S:39])[NH:40][C:41]([CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[cH:36]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59457662tert-Butyl 3-(7-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)thieno[3,2-b]pyridin-2-yl)benzyl(2-methoxyethyl)carbamate

Product 1

HCID 86604164N-(3-Fluoro-4-(2-(3-((2-methoxyethylamino)methyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

Sources & evidence

ORD record
ord-56fa445ebe4f4f8ab81b66bb2cca4c7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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