Dimethylformamide → 5-(2-(2-amino-2-oxoethoxy)-4-methoxy-5-(1-(pyridin-2-yl)cyclopropylcarbamoyl) phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

HRID 95566Notes

Reaction equation

HRID 95566 reaction equation
[NH2:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7]([O:34][CH3:35])[c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]1-[c:14]1[cH:15][cH:16][c:17]2[c:18]([c:19]([C:29]([NH:30][CH3:31])=[O:32])[c:20](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[o:21]2)[cH:33]1)=[O:36].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:37]1[c:38]([C:43]2([NH2:46])[CH2:44][CH2:45]2)[cH:39][cH:40][cH:41][cH:42]1.[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[NH2:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7]([O:34][CH3:35])[c:8]([C:9](=[O:11])[NH:46][C:43]2([c:38]3[n:37][cH:42][cH:41][cH:40][cH:39]3)[CH2:44][CH2:45]2)[cH:12][c:13]1-[c:14]1[cH:15][cH:16][c:17]2[c:18]([c:19]([C:29]([NH:30][CH3:31])=[O:32])[c:20](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[o:21]2)[cH:33]1)=[O:36]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 111054091-(Pyridin-2-yl)cyclopropanamineHCID 666060174-(2-Amino-2-oxoethoxy)-5-(2-(4-fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)-2-methoxybenzoic acid

Product 1

HCID 592754695-(2-(2-amino-2-oxoethoxy)-4-methoxy-5-(1-(pyridin-2-yl)cyclopropylcarbamoyl) phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide

Sources & evidence

ORD record
ord-cf9ff475a90e42f9adce5a03a460a86b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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