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Dimethylamine → Ethyl 3-(2-{3-[2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazol-3-YL]phenyl}ethyl)benzoate

HRID 159260
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HRID 159260 반응식
[CH3:43][OH:44].[CH3:45][NH:46][CH3:47].[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:33]([F:34])([F:35])[F:36])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([C:20]#[C:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31][cH:32]3)[cH:17][cH:18][cH:19]2)[c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]1.[Pd:48]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][c:7]3[c:8]([C:33]([F:34])([F:35])[F:36])[cH:9][cH:10][cH:11][c:12]3[c:13]2-[c:14]2[cH:15][c:16]([CH2:20][CH2:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:30][cH:31][cH:32]3)[cH:17][cH:18][cH:19]2)[c:37]([F:42])[cH:38][c:39]([F:41])[cH:40]1
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반응물 4

HCID 674DimethylamineHCID 887MethanolHCID 23938PalladiumHCID 86603014Ethyl 3-({3-[2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazol-3-YL]phenyl}ethynyl)benzoate

생성물 1

HCID 86603015Ethyl 3-(2-{3-[2-(2,4,6-trifluorobenzyl)-7-(trifluoromethyl)-2H-indazol-3-YL]phenyl}ethyl)benzoate

출처 및 근거

ORD 기록
ord-96badd0c08e6424a8f752b583583f8f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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