2-Naphthalenesulfonyl chloride → [3-(2-{[Ethyl-(naphthalene-2-sulfonyl)-amino]-methyl}-4-trifluoromethyl-phenoxy)-phenyl]-acetic acid methyl ester

반응식

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

참가 물질

반응물 2

HCID 71252-Naphthalenesulfonyl chloride

HCID 58288538[3-(2-Ethylaminomethyl-4-trifluoromethyl-phenoxy)-phenyl]-acetic acid methyl ester

생성물 1

HCID 58288473[3-(2-{[Ethyl-(naphthalene-2-sulfonyl)-amino]-methyl}-4-trifluoromethyl-phenoxy)-phenyl]-acetic acid methyl ester

출처 및 근거

ORD 기록: ord-9c116a765c5b448391d317468984bb0e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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