Ethanol → N-(3-Fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-ylamino)phenyl carbamothioyl)-2-phenylacetamide

HRID 2312127Notes

Reaction equation

HRID 2312127 reaction equation
[CH2:37]([OH:38])[CH3:39].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][cH:15]2)[cH:16][c:17](-[c:19]2[n:20][cH:21][n:22]([CH3:24])[cH:23]2)[s:18]3)[cH:4][cH:5][c:6]([NH2:8])[cH:7]1.[c:25]1([CH2:31][C:32](=[O:33])[N:34]=[C:35]=[S:36])[cH:26][cH:27][cH:28][cH:29][cH:30]1.[c:40]1([CH3:41])[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][cH:15]2)[cH:16][c:17](-[c:19]2[n:20][cH:21][n:22]([CH3:24])[cH:23]2)[s:18]3)[cH:4][cH:5][c:6]([NH:8][C:35]([NH:34][C:32]([CH2:31][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:33])=[S:36])[cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 1140TolueneHCID 12454157Phenylacetyl isothiocyanateHCID 594577422-Fluoro-N1-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yl)benzene-1,4-diamine

Product 1

HCID 16718549N-(3-Fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-ylamino)phenyl carbamothioyl)-2-phenylacetamide

Sources & evidence

ORD record
ord-1f688c8b11454d6cb57bf6c817e138fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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