Dimethylformamide → methyl 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 513420492-(Bromomethyl)-5-(methylsulphonyl)benzotrifluoride

HCID 67218699methyl 2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

생성물 1

HCID 67219460methyl 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetate

출처 및 근거

ORD 기록: ord-1756b3dcbc9847178f365d8b5508d53a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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