Trifluoroacetic acid → 7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2(1H)-one

HRID 1146836노트

반응식

[Cl:1][c:2]1[c:3](-[c:9]2[c:10]3[cH:11][cH:12][c:13](=[O:42])[n:14](-[c:34]4[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]4[Cl:40])[c:15]3[cH:16][c:17]([C:19]3=[CH:20][CH:21]4[CH2:22][CH2:23][CH:24]([CH2:25]3)[N:26]4[C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[Cl:1][c:2]1[c:3](-[c:9]2[c:10]3[cH:11][cH:12][c:13](=[O:42])[n:14](-[c:34]4[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]4[Cl:40])[c:15]3[cH:16][c:17]([C:19]3=[CH:20][CH:21]4[CH2:22][CH2:23][CH:24]([CH2:25]3)[NH:26]4)[n:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 22648108Tert-butyl 3-[5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

생성물 1

HCID 226479477-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2(1H)-one

출처 및 근거

ORD 기록: ord-20bc145573d74d2f8c9e16a3e7e3a253
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

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