Toluene → N-(3-Fluoro-4-(2-(5-((2-methoxyethylamino)methyl)-1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

HRID 2160923Notes

Reaction equation

[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[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[n:15]([CH3:32])[c:16]([CH2:19][N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28][CH2:29][O:30][CH3:31])[cH:17][n:18]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[n:15]([CH3:32])[c:16]([CH2:19][NH:20][CH2:28][CH2:29][O:30][CH3:31])[cH:17][n:18]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

Reactant 3

HCID 1140Toluene

HCID 6422Trifluoroacetic acid

HCID 57919653tert-Butyl (2-(7-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)thieno[3,2-b]pyridin-2-yl)-1-methyl-1H-imidazol-5-yl)methyl(2-methoxyethyl)carbamate

Product 1

HCID 25267071N-(3-Fluoro-4-(2-(5-((2-methoxyethylamino)methyl)-1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

Sources & evidence

ORD record: ord-38a7df0d56744c0eabaaede927c889e5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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