Dimethylformamide → tert-Butyl (6-(7-(2-Fluoro-4-(1-(4-fluorophenylcarbamoyl)-cyclopropanecarboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)pyridin-3-yl)methyl(2-methoxyethyl)carbamate
Reaction equation
[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F:47][c:48]1[cH:49][cH:50][c:51]([NH:54][C:55](=[O:56])[C:57]2([C:60](=[O:61])[OH:62])[CH2:58][CH2:59]2)[cH:52][cH:53]1.[NH2:1][c:2]1[cH:3][c:4]([F:37])[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][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[P-:63]([F:64])([F:65])([F:66])([F:67])([F:68])[F:69].[n:70]1([O:71][C:72]([N:73]([CH3:74])[CH3:75])=[N+:76]([CH3:77])[CH3:78])[c:79]2[n:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1>>[NH:1]([c:2]1[cH:3][c:4]([F:37])[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][cH:18][c:19]([CH2:22][N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][CH2:32][O:33][CH3:34])[cH:20][n:21]2)[s:15]3)[cH:35][cH:36]1)[C:60]([C:57]1([C:55]([NH:54][c:51]2[cH:50][cH:49][c:48]([F:47])[cH:53][cH:52]2)=[O:56])[CH2:58][CH2:59]1)=[O:61]Participants
8
Reactant 7
HCID 6228Dimethylformamide
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 210815301-[(4-Fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid
HCID 579194724-[[2-[5-[[Boc(2-methoxyethyl)amino]methyl]-2-pyridyl]-7-thieno[3,2-b]pyridyl]oxy]-3-fluoroanilineProduct 1
Sources & evidence
- ORD record
- ord-15d3e698cd174feaaefff5029b3cb23f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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