Hydrochloric Acid → tert-butyl 4-(7-(2-fluoro-4-(2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

HRID 89717Notes

Reaction equation

HRID 89717 reaction equation
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH:76]([CH3:77])[CH3:78])[CH3:79].[ClH:49].[F:32][c:33]1[cH:34][cH:35][c:36](-[n:39]2[n:40][cH:41][cH:42][c:43]([C:46](=[O:47])[OH:48])[c:44]2=[O:45])[cH:37][cH:38]1.[NH2:1][c:2]1[cH:3][c:4]([F:31])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14]([C:16]2=[CH:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[s:15]3)[cH:29][cH:30]1.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[n:61]1([OH:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH:1]([c:2]1[cH:3][c:4]([F:31])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[cH:13][c:14]([C:16]2=[CH:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[s:15]3)[cH:29][cH:30]1)[C:46]([c:43]1[cH:42][cH:41][n:40][n:39](-[c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)[c:44]1=[O:45])=[O:47]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 59684980tert-butyl 4-(7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateHCID 667671712-(4-Fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

Product 1

HCID 67346517tert-butyl 4-(7-(2-fluoro-4-(2-(4-fluorophenyl)-3-oxo-2,3-dihydropyridazine-4-carboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Sources & evidence

ORD record
ord-e1fbc66375bb42a3973d2e039179cbec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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