Dichloromethane → 3-iodo-4-methyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide

반응식

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][c:11]([NH2:19])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[CH2:6][CH2:7]1.[Cl:31][CH2:32][Cl:33].[I:20][c:21]1[cH:22][c:23]([C:24](=[O:25])[Cl:26])[cH:27][cH:28][c:29]1[CH3:30]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([CH2:8][c:9]2[cH:10][c:11]([NH:19][C:24]([c:23]3[cH:22][c:21]([I:20])[c:29]([CH3:30])[cH:28][cH:27]3)=[O:25])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[CH2:6][CH2:7]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 177521573-Iodo-4-methylbenzoyl chloride

HCID 231550523-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

생성물 1

HCID 594279993-iodo-4-methyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide

출처 및 근거

ORD 기록: ord-d0fed40760c240389b8fab2051f1ca03
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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