Triethylamine → N1-(2-cyclopentylethyl)-4-methyl-N3-(6-(3-methylbutanamido)pyridin-3-yl)isophthalamide

반응식

[C:35]([CH2:36][CH:37]([CH3:38])[CH3:39])(=[O:40])[Cl:41].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[NH2:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:23][cH:24][c:25]2[CH3:26])=[O:27])[cH:6][n:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:23][cH:24][c:25]2[CH3:26])=[O:27])[cH:6][n:7]1)[C:35]([CH2:36][CH:37]([CH3:38])[CH3:39])=[O:40]

참가 물질

반응물 3

HCID 8471Triethylamine

HCID 66054Isovaleryl chloride

HCID 24812718N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide

생성물 1

HCID 59381892N1-(2-cyclopentylethyl)-4-methyl-N3-(6-(3-methylbutanamido)pyridin-3-yl)isophthalamide

출처 및 근거

ORD 기록: ord-0624944aa0a74012ad1bafbe10f16e03
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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