Dichloromethane → N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(6-chloro-5-(methylsulfonyl)pyridin-3-yl)acetamide

HRID 1561846Notes

Reaction equation

HRID 1561846 reaction equation
[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[c:3]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:4][c:5]([CH2:8][C:9]([O:11][C:10]([CH3:12])([CH3:13])[CH3:14])=[O:15])[cH:6][n:7]1.[Cl:76][CH2:77][Cl:78].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[NH2:27][c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]2)[cH:32][n:33]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[Cl:1][c:2]1[c:3]([S:16](=[O:17])(=[O:18])[CH3:19])[cH:4][c:5]([CH2:8][C:9](=[O:11])[NH:27][c:28]2[cH:29][cH:30][c:31]([N:34]3[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]3)[cH:32][n:33]2)[cH:6][n:7]1

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 284116891-(4-(6-Aminopyridin-3-YL)piperazin-1-YL)ethan-1-oneHCID 58447953Tert-butyl 2-(6-chloro-5-(methylsulfonyl)pyridin-3-yl)acetate

Product 1

HCID 86657957N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(6-chloro-5-(methylsulfonyl)pyridin-3-yl)acetamide

Sources & evidence

ORD record
ord-6fe4a6c1288e44348e9639fbfbe8de48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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