3-Bromo-1,1,1-Trifluoro-2-Propanol → 6-[N-(5-Bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzyl)-N-ethylamino]-3-cyanopyridazine

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:20])[c:6]([CH2:7][N:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[n:15][n:16]2)[cH:19]1.[F:21][C:22]([CH:23]([CH2:24][Br:25])[OH:26])([F:27])[F:28]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH2:24][CH:23]([C:22]([F:21])([F:27])[F:28])[OH:26])[c:6]([CH2:7][N:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[n:15][n:16]2)[cH:19]1

참가 물질

반응물 2

HCID 2206323-Bromo-1,1,1-Trifluoro-2-Propanol

HCID 226225146-[N-(5-Bromo-2-hydroxybenzyl)-N-ethylamino]-3-cyanopyridazine

생성물 1

HCID 226224946-[N-(5-Bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzyl)-N-ethylamino]-3-cyanopyridazine

출처 및 근거

ORD 기록: ord-7347742fd2e44a428a13db9887dfa1c2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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