Benzonitrile, 3-(bromomethyl)- → 3-[[[5-[3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile

HRID 103026

반응식

HRID 103026 반응식
[Br:25][CH2:26][c:27]1[cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33][cH:34]1.[CH3:1][S:2](=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][o:12][c:13]3[c:14]2[cH:15][c:16](-[c:19]2[n:20][n:21][c:22]([SH:24])[o:23]2)[cH:17][cH:18]3)[cH:8][cH:9]1>>[CH3:1][S:2](=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][o:12][c:13]3[c:14]2[cH:15][c:16](-[c:19]2[n:20][n:21][c:22]([S:24][CH2:26][c:27]4[cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33][cH:34]4)[o:23]2)[cH:17][cH:18]3)[cH:8][cH:9]1

참가 물질

3

반응물 2

HCID 97249Benzonitrile, 3-(bromomethyl)-HCID 178504596HCID 178504596, 화합물

생성물 1

HCID 686642773-[[[5-[3-[4-(Methylsulfinyl)phenyl]-1-benzofuran-5-yl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile

출처 및 근거

ORD 기록
ord-fef6b821089a458ab87e7661f472f964
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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