3-Furoic acid → Furan-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethylester

HRID 2160822

반응식

HRID 2160822 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([CH2:31][O:32][CH2:33][CH2:34][OH:35])[c:20]2[O:21][c:22]2[c:23]([Cl:30])[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]2)[cH:9][cH:10]1.[o:36]1[cH:37][c:38]([C:41](=[O:42])[OH:43])[cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([CH2:31][O:32][CH2:33][CH2:34][O:35][C:41]([c:38]3[cH:37][o:36][cH:40][cH:39]3)=[O:42])[c:20]2[O:21][c:22]2[c:23]([Cl:30])[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]2)[cH:9][cH:10]1

참가 물질

3

반응물 2

HCID 102683-Furoic acidHCID 199347414-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy-methyl)-pyrimidin-4-yl]-benzenesulphonamide

생성물 1

HCID 69960040Furan-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethylester

출처 및 근거

ORD 기록
ord-558a85619ec547e69b3f57e12bc0c7d6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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