Benzene → 4-(2-Chloro-9H-xanthen-9-ylidene)piperidine-1-carbonitrile

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 10476Cyanogen Bromide

HCID 43215Clopipazan

생성물 1

HCID 203574724-(2-Chloro-9H-xanthen-9-ylidene)piperidine-1-carbonitrile

출처 및 근거

ORD 기록: ord-fb08eef967634ba6bbc8773edaefc82c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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