5-chloro-2-(trifluoromethyl)-1,8-Naphthyridine → 6,2'-Difluoro-5'-(7-trifluoromethyl[1,8]naphthyridin-4-yl)biphenyl-3-carbonitrile

HRID 186744

반응식

HRID 186744 반응식
[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([C:12]([F:13])([F:14])[F:15])[n:7][c:8]2[n:9][cH:10][cH:11]1.[F:16][c:17]1[cH:18][cH:19][c:20]([C:39]#[N:40])[cH:21][c:22]1-[c:23]1[c:24]([F:38])[cH:25][cH:26][c:27]([B:29]2[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]2)[cH:28]1>>[c:2]1(-[c:27]2[cH:26][cH:25][c:24]([F:38])[c:23](-[c:22]3[c:17]([F:16])[cH:18][cH:19][c:20]([C:39]#[N:40])[cH:21]3)[cH:28]2)[c:3]2[cH:4][cH:5][c:6]([C:12]([F:13])([F:14])[F:15])[n:7][c:8]2[n:9][cH:10][cH:11]1

참가 물질

3

반응물 2

HCID 222852765-chloro-2-(trifluoromethyl)-1,8-NaphthyridineHCID 222853016,2'-Difluoro-5'-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)biphenyl-3-carbonitrile

생성물 1

HCID 101585256,2'-Difluoro-5'-(7-trifluoromethyl[1,8]naphthyridin-4-yl)biphenyl-3-carbonitrile

출처 및 근거

ORD 기록
ord-6447eca117234ac38f1a3d47ab58fce1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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