Hydrochloric Acid → 9a-butyl-4-cyano-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

반응식

[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH2:6][c:7]3[cH:8][c:9]([O:21][CH3:22])[cH:10][cH:11][c:12]3[C:13]1=[C:14]([C:19]#[N:20])[C:15](=[O:18])[CH2:16][CH2:17]2.[ClH:23].[n:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH2:6][c:7]3[cH:8][c:9]([OH:21])[cH:10][cH:11][c:12]3[C:13]1=[C:14]([C:19]#[N:20])[C:15](=[O:18])[CH2:16][CH2:17]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 1049Pyridine

HCID 219909269a-butyl-4-cyano-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

생성물 1

HCID 98354279a-butyl-4-cyano-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

출처 및 근거

ORD 기록: ord-1a5455e34beb47059d12fc7bc013ee66
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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