Acetonitrile → 9-chloro-5-methyl-8-(3-methyl-1-piperazinyl)-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester

HRID 94617

반응식

HRID 94617 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8]2[c:13]3[c:12]([c:19]([Cl:20])[c:18]([Cl:21])[cH:17][c:14]3[c:15]1=[O:16])[C:11](=[O:22])[CH2:10][CH:9]2[CH3:23].[CH3:24][CH:25]1[NH:26][CH2:27][CH2:28][NH:29][CH2:30]1.[CH3:31][C:32]#[N:33]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8]2[c:13]3[c:12]([c:19]([N:29]4[CH2:28][CH2:27][NH:26][CH:25]([CH3:24])[CH2:30]4)[c:18]([Cl:21])[cH:17][c:14]3[c:15]1=[O:16])[C:11](=[O:22])[CH2:10][CH:9]2[CH3:23]

참가 물질

4

반응물 3

HCID 6342AcetonitrileHCID 660572-MethylpiperazineHCID 139602018,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester

생성물 1

HCID 539147249-chloro-5-methyl-8-(3-methyl-1-piperazinyl)-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-cfc115e974e9418a976d6dca51f812aa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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