Hydrochloric Acid → 4-(2-chloro-4-methylsulfonylphenoxy)-2,2-dimethyl-N-(2-methyltriazol-4-yl)-3H-1-benzofuran-6-carboxamide

HRID 1210650Notes

Reaction equation

HRID 1210650 reaction equation
[CH3:28][n:29]1[n:30][cH:31][c:32]([NH2:34])[n:33]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([C:16](=[O:17])[OH:18])[cH:8][c:9]3[c:10]2[CH2:11][C:12]([CH3:14])([CH3:15])[O:13]3)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:22]1.[ClH:27].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([C:16](=[O:18])[NH:34][c:32]3[cH:31][n:30][n:29]([CH3:28])[n:33]3)[cH:8][c:9]3[c:10]2[CH2:11][C:12]([CH3:14])([CH3:15])[O:13]3)[cH:19][cH:20][c:21]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:22]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 145364352-Methyl-2H-1,2,3-triazol-4-amineHCID 595602284-(2-Chloro-4-methanesulfonyl-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid

Product 1

HCID 595600194-(2-chloro-4-methylsulfonylphenoxy)-2,2-dimethyl-N-(2-methyltriazol-4-yl)-3H-1-benzofuran-6-carboxamide

Sources & evidence

ORD record
ord-932d3f2b64e64dd78a6866ada7870fdf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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