Ammonium → [5-Chloro-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl]amine

HRID 304374

Reaction equation

HRID 304374 reaction equation
[C:66](=[O:67])([OH:68])[O-:69].[CH3:71][C:72]#[N:73].[Ce+4:45].[Cl:1][c:2]1[c:3]([CH:20]([c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)[S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:4][c:5]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH3:15])[c:16]([O:17][CH3:18])[cH:19]2)[n:6][cH:7]1.[N+:39]([O-:40])([O-:41])=[O:42].[N+:46]([O-:47])([O-:48])=[O:49].[N+:50]([O-:51])([O-:52])=[O:53].[N+:54]([O-:55])([O-:56])=[O:57].[N+:58]([O-:59])([O-:60])=[O:61].[N+:62]([O-:63])([O-:64])=[O:65].[NH4+:43].[NH4+:44].[Na+:70]>>[Cl:1][c:2]1[c:3]([CH:20]([c:21]2[c:22]([F:28])[cH:23][cH:24][c:25]([F:27])[cH:26]2)[S:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:4][c:5]([NH2:8])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 223Ammonium2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 943Nitrate6×HCID 6342AcetonitrileHCID 119438Cerium(4+)HCID 231147515-Chloro-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxybenzylamino)pyridine

Product 1

HCID 23114671[5-Chloro-4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl]amine

Sources & evidence

ORD record
ord-8ac58ba8d8234e18ab660369a311f4e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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