Dichloromethane → 2-(2-methoxyphenyl)-N-[2-[2-[[3-(trifluoromethyl)-phenyl]sulfonyl]-ethylsulfanyl]-pyridin-3-yl]acetamide

HRID 695225Notes

Reaction equation

HRID 695225 reaction equation
[CH3:34][O:35][c:36]1[c:37]([CH2:42][C:43](=[O:44])[OH:45])[cH:38][cH:39][cH:40][cH:41]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:69][CH2:70][Cl:71].[F:46][C:47]([c:48]1[cH:49][c:50]([S:54](=[O:55])(=[O:56])[CH2:57][CH2:58][S:59][c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[NH2:66])[cH:51][cH:52][cH:53]1)([F:67])[F:68].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:34][O:35][c:36]1[c:37]([CH2:42][C:43](=[O:45])[NH:66][c:65]2[c:60]([S:59][CH2:58][CH2:57][S:54]([c:50]3[cH:49][c:48]([C:47]([F:46])([F:67])[F:68])[cH:53][cH:52][cH:51]3)(=[O:55])=[O:56])[n:61][cH:62][cH:63][cH:64]2)[cH:38][cH:39][cH:40][cH:41]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 71342-Methoxyphenylacetic acidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67133713[2-[2-[[3-(Trifluoromethyl)phenyl]sulfonyl]-ethylsulfanyl]-pyridin-3-yl]amine

Product 1

HCID 469174342-(2-methoxyphenyl)-N-[2-[2-[[3-(trifluoromethyl)-phenyl]sulfonyl]-ethylsulfanyl]-pyridin-3-yl]acetamide

Sources & evidence

ORD record
ord-628caf2abc22488488b917fd2ff3f983
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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