Trifluoromethylsulfonamide → N-[5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-C,C,C-trifluoromethanesulfonamide

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:20]#[N:21])[c:7](-[c:12]3[cH:13][n:14][cH:15][c:16]([CH:18]=[O:19])[cH:17]3)[n:8]([CH3:11])[c:9]2[cH:10]1.[F:22][C:23]([S:24](=[O:25])(=[O:26])[NH2:27])([F:28])[F:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:20]#[N:21])[c:7](-[c:12]3[cH:13][n:14][cH:15][c:16]([CH2:18][NH:27][S:24]([C:23]([F:22])([F:28])[F:29])(=[O:25])=[O:26])[cH:17]3)[n:8]([CH3:11])[c:9]2[cH:10]1

참가 물질

반응물 2

HCID 79001Trifluoromethylsulfonamide

HCID 582157716-chloro-2-(5-formyl-pyridin-3-yl)-1-methyl-1H-indole-3-carbonitrile

생성물 1

HCID 58215603N-[5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-C,C,C-trifluoromethanesulfonamide

출처 및 근거

ORD 기록: ord-675d709cb3eb450aa127ea3b415604c7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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