Water → 2-Ethyl-N-(1-methyl-1H-pyrazol-3-yl)-4-[4-(methylsulfonyl)-phenoxy]-1-benzofuran-6-carboxamide

HRID 143838Notes

Reaction equation

HRID 143838 reaction equation
[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[c:6]([cH:7]1)[c:8]([O:15][c:16]1[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:21]1)[cH:9][c:10]([C:12](=[O:13])[OH:14])[cH:11]2.[CH3:59][n:60]1[n:61][c:62]([NH2:65])[cH:63][cH:64]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[c:6]([cH:7]1)[c:8]([O:15][c:16]1[cH:17][cH:18][c:19]([S:22](=[O:23])(=[O:24])[CH3:25])[cH:20][cH:21]1)[cH:9][c:10]([C:12](=[O:13])[NH:65][c:62]1[n:61][n:60]([CH3:59])[cH:64][cH:63]1)[cH:11]2

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1372541-Methyl-3-aminopyrazoleHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595599412-Ethyl-4-[4-(methylsulfonyl)phenoxy]-1-benzofuran-6-carboxylic acid

Product 1

HCID 595601602-Ethyl-N-(1-methyl-1H-pyrazol-3-yl)-4-[4-(methylsulfonyl)-phenoxy]-1-benzofuran-6-carboxamide

Sources & evidence

ORD record
ord-e1c61c898fbf4413be47da1af59245cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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