Heptane → 4-(4-Trifluoromethoxy-phenylethynyl)-phenylamine

HRID 94444

반응식

[C:23](#[CH:24])[c:25]1[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:10][S:11]([c:12]2[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]2)(=[O:19])=[O:20])[cH:8][cH:9]1)([F:21])[F:22]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:24]#[C:23][c:25]2[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]2)[cH:8][cH:9]1)([F:21])[F:22]

참가 물질

반응물 3

HCID 8900Heptane

HCID 37600254-Ethynylaniline

HCID 18424495Toluene-4-sulfonic acid 4-trifluoromethoxy-phenyl ester

생성물 1

HCID 252217274-(4-Trifluoromethoxy-phenylethynyl)-phenylamine

출처 및 근거

ORD 기록: ord-73ffd3d2b10847029a81135f15cac246
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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