Acetonitrile → 6-Bromo-1-[(4-methylphenyl)sulfonyl]-4-[5-(4-morpholinylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazole

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 8083Morpholine

HCID 666956676-Bromo-4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4-methylphenyl)sulfonyl]-1H-indazole

생성물 1

HCID 666958226-Bromo-1-[(4-methylphenyl)sulfonyl]-4-[5-(4-morpholinylmethyl)-1,3,4-oxadiazol-2-yl]-1H-indazole

출처 및 근거

ORD 기록: ord-0dbc953ad5624162998928c72ff2ca30
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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