5-Methoxybenzofuran-2-carboxylic acid → 5-Methoxy-benzofuran-2-carboxylic acid [2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-amide

반응식

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

참가 물질

반응물 2

HCID 2886385-Methoxybenzofuran-2-carboxylic acid

HCID 594018302-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamine

생성물 1

HCID 594018145-Methoxy-benzofuran-2-carboxylic acid [2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-amide

출처 및 근거

ORD 기록: ord-b63f5e1fb090409ebf82336b357457bf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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