Hydrochloric Acid → 4-{2-[5-(2-Pyrrolidin-1-ylethoxy)benzofuran-2-carbonylamino]-ethoxy}-benzoic acid methyl ester

HRID 142949

Reaction equation

HRID 142949 reaction equation
[CH3:22][O:23][C:24]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][CH2:33][NH2:34])[cH:29][cH:30]1)=[O:35].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:21].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][c:15]([C:17](=[O:18])[OH:19])[o:16]3)[cH:20]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][c:15]([C:17](=[O:19])[NH:34][CH2:33][CH2:32][O:31][c:28]4[cH:27][cH:26][c:25]([C:24]([O:23][CH3:22])=[O:35])[cH:30][cH:29]4)[o:16]3)[cH:20]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14097616Methyl 4-(2-aminoethoxy)benzoateHCID 229283195-(2-Pyrrolidin-1-ylethoxy)benzofuran-2-carboxylic acid

Product 1

HCID 666881644-{2-[5-(2-Pyrrolidin-1-ylethoxy)benzofuran-2-carbonylamino]-ethoxy}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-199fbe7f6c484ed98aa7216ace687e63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…