Toluene → 5-(Phenylmethyl)-3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidine

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 9309Allylbenzene

HCID 727271741-(4-chlorophenyl)-2-(1H-imidazol-1-yl)-N-methylethanimine N-oxide

생성물 1

HCID 144262015-(Phenylmethyl)-3-(4-chlorophenyl)-3-(1H-imidazol-1-ylmethyl)-2-methylisoxazolidine

출처 및 근거

ORD 기록: ord-9fee4f66e8df4d18a861dc147d9ba493
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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