Iodide Ion → 3,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester

HRID 89598

반응식

HRID 89598 반응식
[CH2:20]1[N:21]([C:30](=[O:31])[n:32]2[cH:33][cH:34][n+:35]([CH3:36])[cH:37]2)[CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]21.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[n:7][cH:8]1)([F:17])[F:18].[I-:19]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:9][c:10]2[cH:11][cH:12][c:13]([O:16][C:30]([N:21]3[CH2:20][c:29]4[c:24]([cH:25][cH:26][cH:27][cH:28]4)[CH2:23][CH2:22]3)=[O:31])[cH:14][cH:15]2)[n:7][cH:8]1)([F:17])[F:18]

참가 물질

4

반응물 3

HCID 30165Iodide IonHCID 1552414-(5-Trifluoromethyl-pyridin-2-yloxy)-phenolHCID 220479193,4-dihydro-1H-isoquinolin-2-yl-(3-methylimidazol-3-ium-1-yl)methanone

생성물 1

HCID 236355143,4-dihydro-1H-isoquinoline-2-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester

출처 및 근거

ORD 기록
ord-c19d227c3bf44d1c8b198bc9a848c1df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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