3-[4-(5-Methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzoic acid → N-[3-Methanesulfonylamino-2-methoxy-5-(1-methyl-cyclopropyl)-phenyl]-3-[4-(5-methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 210972913-[4-(5-Methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzoic acid

HCID 22025264N-[3-amino-2-methoxy-5-(1-methyl-cyclopropyl)-phenyl]-methanesulfonamide

생성물 1

HCID 21097097N-[3-Methanesulfonylamino-2-methoxy-5-(1-methyl-cyclopropyl)-phenyl]-3-[4-(5-methoxy-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide

출처 및 근거

ORD 기록: ord-86b1cd653d474742bfcfd1097bcdcaa2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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