Water → 4-{4-[(Dimethylamino)carbonyl]phenoxy}-2-ethyl-N-(5-methylpyridin-2-yl)-1-benzofuran-6-carboxamide

HRID 2148716Notes

Reaction equation

HRID 2148716 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([C:21](=[O:22])[OH:23])[cH:13][c:14]3[c:15]2[cH:16][c:17]([CH2:19][CH3:20])[o:18]3)[cH:24][cH:25]1)[CH3:26].[CH3:60][c:61]1[cH:62][cH:63][c:64]([NH2:67])[n:65][cH:66]1.[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][c:10]2[cH:11][c:12]([C:21](=[O:22])[NH:67][c:64]3[cH:63][cH:62][c:61]([CH3:60])[cH:66][n:65]3)[cH:13][c:14]3[c:15]2[cH:16][c:17]([CH2:19][CH3:20])[o:18]3)[cH:24][cH:25]1)[CH3:26]

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 153482-Amino-5-methylpyridineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595601564-{4-[(Dimethylamino)carbonyl]phenoxy}-2-ethyl-1-benzofuran-6-carboxylic acid

Product 1

HCID 595601984-{4-[(Dimethylamino)carbonyl]phenoxy}-2-ethyl-N-(5-methylpyridin-2-yl)-1-benzofuran-6-carboxamide

Sources & evidence

ORD record
ord-3f28e26aa6f64bf2be09470995afca76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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