Acetonitrile → Anastrozole

HRID 693124노트

반응식

HRID 693124 반응식
[CH3:24][C:25]#[N:26].[Cl:1][CH2:2][c:3]1[cH:4][c:5]([C:14]([C:15]#[N:16])([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:8]1.[nH:19]1[n:20][cH:21][n:22][cH:23]1>>[CH2:2]([c:3]1[cH:4][c:5]([C:14]([C:15]#[N:16])([CH3:17])[CH3:18])[cH:6][c:7]([C:9]([C:10]#[N:11])([CH3:12])[CH3:13])[cH:8]1)[n:19]1[n:20][cH:21][n:22][cH:23]1

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 92571H-1,2,4-TriazoleHCID 193493842-(3-(Chloromethyl)-5-(2-cyanopropan-2-yl)phenyl)-2-methylpropanenitrile

생성물 1

HCID 2187Anastrozole

출처 및 근거

ORD 기록
ord-181c64ce888d4f9eb1268180a96fd966
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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