Benzene → 3-Hydroxy3, 3-di(4-biphenylyl) propionitrile

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 6342Acetonitrile

HCID 2284534,4'-Diphenylbenzophenone

생성물 1

HCID 221552003-Hydroxy3, 3-di(4-biphenylyl) propionitrile

출처 및 근거

ORD 기록: ord-34731ebe708a407b970cb65b06f56f4e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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