Bicarbonate Ion → 2-Methyl-6-(thieno[3,2-b]pyridin-7-yloxy)benzofuran-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)amide

HRID 1569341Notes

Reaction equation

HRID 1569341 reaction equation
[CH3:1][c:2]1[o:3][c:4]2[c:5]([c:6]1[C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]([O:14][c:15]1[c:16]3[c:17]([n:18][cH:19][cH:20]1)[cH:21][cH:22][s:23]3)[cH:13]2.[CH:61]([N:62]([CH:63]([CH3:64])[CH3:65])[CH2:66][CH3:67])([CH3:68])[CH3:69].[Na+:74].[O-:70][C:71]([OH:72])=[O:73].[O:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([NH2:36])[cH:34][n:35]2)[CH2:28][CH2:29]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([c:6]1[C:7](=[O:8])[NH:36][c:33]1[cH:32][cH:31][c:30]([N:27]3[CH2:26][CH2:25][O:24][CH2:29][CH2:28]3)[n:35][cH:34]1)[cH:10][cH:11][c:12]([O:14][c:15]1[c:16]3[c:17]([n:18][cH:19][cH:20]1)[cH:21][cH:22][s:23]3)[cH:13]2

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1040596-(Morpholino)pyridin-3-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 221435102-Methyl-6-[thieno[3,2-b]pyridin-7-yloxy]benzofuran-3-carboxylic acid

Product 1

HCID 207678132-Methyl-6-(thieno[3,2-b]pyridin-7-yloxy)benzofuran-3-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)amide

Sources & evidence

ORD record
ord-effa66e5a2d24ed0abc6df3cc7bfbae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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