2-Methyl-5-(4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinoline → 7-Chloro-2-methyl-5-{4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinoline

HRID 171565

반응식

HRID 171565 반응식
[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][c:20]4[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]4)[CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1.[Cl:29][c:30]1[cH:31][c:32]2[c:33]([cH:34][cH:35][c:36]([CH3:37])[n:38]2)[c:39]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:46]1.[N+:47]([c:48]1[cH:49][cH:50][c:51]([S:52]([O:53][CH2:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][c:60]([N+:61]([O-:62])=[O:63])[cH:64]2)(=[O:65])=[O:66])[cH:67][cH:68]1)([O-:69])=[O:70]>>[CH3:1][c:2]1[n:3][c:4]2[cH:5][c:6]([Cl:29])[cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][c:20]4[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]4)[CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1

참가 물질

4

반응물 3

HCID 498519022-Methyl-5-(4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinolineHCID 574442742-(3-Nitrophenyl)ethyl 4-nitrobenzenesulfonateHCID 574442757-Chloro-2-methyl-5-piperazin-1-ylquinoline

생성물 1

HCID 574442767-Chloro-2-methyl-5-{4-[2-(3-nitrophenyl)ethyl]-1-piperazinyl}quinoline

출처 및 근거

ORD 기록
ord-de7fa794f7cc4bfaa12c2c56b66afb5c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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