Hydrochloric Acid → 2-(2,4-dichloro-benzenesulfonylamino)-N-methoxy-N-methyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinamide

HRID 180812Notes

Reaction equation

HRID 180812 reaction equation
[B-:43]([F:44])([F:45])([F:46])[F:47].[CH3:39][NH:40][O:41][CH3:42].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[OH:18])[c:19]([S:22][c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[N:32]4[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]4)[cH:27][cH:28]3)[cH:20][n:21]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[ClH:38].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[N:40]([CH3:39])[O:41][CH3:42])[c:19]([S:22][c:23]3[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[N:32]4[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]4)[cH:27][cH:28]3)[cH:20][n:21]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 577182032-(2,4-Dichloro-benzenesulfonylamino)-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinic acid

Product 1

HCID 577181912-(2,4-dichloro-benzenesulfonylamino)-N-methoxy-N-methyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-isonicotinamide

Sources & evidence

ORD record
ord-d5d06fd8bbd047769ac75b6df7c5df0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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