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Potassium Cation → 7-Methyl-5-(4-methyl-piperazin-1-ylmethyl)-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

HRID 111410
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인쇄 미리보기

반응식

HRID 111410 반응식
[Cl:26][CH2:27][CH2:28][N:29]([CH3:30])[CH2:31][CH2:32][Cl:33].[K+:34].[K+:35].[NH2:1][CH2:2][c:3]1[cH:4][c:5]2[c:9]([c:10]([CH3:12])[cH:11]1)[C:8](=[O:13])[N:7]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]1)[CH2:6]2.[O-:36][C:37]([O-:38])=[O:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[N:1]1([CH2:2][c:3]2[cH:4][c:5]3[c:9]([c:10]([CH3:12])[cH:11]2)[C:8](=[O:13])[N:7]([CH2:14][c:15]2[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]2)[CH2:6]3)[CH2:27][CH2:28][N:29]([CH3:30])[CH2:31][CH2:32]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 4033MechlorethamineHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 579493205-Aminomethyl-7-methyl-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-one

생성물 1

HCID 579494067-Methyl-5-(4-methyl-piperazin-1-ylmethyl)-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

출처 및 근거

ORD 기록
ord-915ba26010c040cf943c6d5dc3e51bc2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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