2,2,2-Trifluoroethyl trifluoromethanesulfonate → [6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-methanone

반응식

[Br:1][c:2]1[c:3]([O:21][CH:22]2[CH2:23][CH2:24][N:25]([CH:28]([CH3:29])[CH3:30])[CH2:26][CH2:27]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[nH:8][c:9]2[cH:10]1.[F:31][C:32]([CH2:33][O:34][S:35]([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41])([F:42])[F:43]>>[Br:1][c:2]1[c:3]([O:21][CH:22]2[CH2:23][CH2:24][N:25]([CH:28]([CH3:29])[CH3:30])[CH2:26][CH2:27]2)[cH:4][c:5]2[cH:6][c:7]([C:11](=[O:12])[N:13]3[CH2:14][CH2:15][S:16](=[O:19])(=[O:20])[CH2:17][CH2:18]3)[n:8]([CH2:33][C:32]([F:31])([F:42])[F:43])[c:9]2[cH:10]1

참가 물질

반응물 2

HCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonate

HCID 16739609[6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)-methanone

생성물 1

HCID 16739674[6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1-(2,2,2-trifluoro-ethyl)-1H-indol-2-yl]-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-methanone

출처 및 근거

ORD 기록: ord-a6af905063154a78b3ebc09d5f1a2556
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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