Water → HCID 57942484, compound

HRID 1216728Notes

Reaction equation

HRID 1216728 reaction equation
[CH3:26][CH:27]1[CH2:28][O:29][CH2:30][CH2:31][NH:32]1.[CH3:72][C:73]#[N:74].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][c:4]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]([C:22]([F:23])([F:24])[F:25])[c:18]([Cl:21])[cH:19][cH:20]2)[c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[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[cH:3][c:4]([NH:11][S:12](=[O:13])(=[O:14])[c:15]2[cH:16][c:17]([C:22]([F:23])([F:24])[F:25])[c:18]([Cl:21])[cH:19][cH:20]2)[c:5]([C:8](=[O:10])[N:32]2[CH:27]([CH3:26])[CH2:28][O:29][CH2:30][CH2:31]2)[n:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2921033-MethylmorpholineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579420775-Chloro-3-(4-chloro-3-trifluoromethyl benzenesulfonylamino)-pyridine-2-carboxylic acid

Product 1

HCID 57942484HCID 57942484, compound

Sources & evidence

ORD record
ord-0d4c38f72540423693f70c0ed7a6ce4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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