4-Toluenesulfonyl chloride → 5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-pyridin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide

HRID 1119416

반응식

HRID 1119416 반응식
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][c:14](-[c:31]3[cH:32][cH:33][n:34][cH:35][cH:36]3)[n:15][c:16]([O:27][CH2:28][CH2:29][NH2:30])[c:17]2[O:18][c:19]2[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]2)[n:6][cH:7]1.[CH3:37][c:38]1[cH:39][cH:40][c:41]([S:44](=[O:45])(=[O:46])[Cl:47])[cH:42][cH:43]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[n:13][c:14](-[c:31]3[cH:32][cH:33][n:34][cH:35][cH:36]3)[n:15][c:16]([O:27][CH2:28][CH2:29][NH:30][S:44]([c:41]3[cH:40][cH:39][c:38]([CH3:37])[cH:43][cH:42]3)(=[O:45])=[O:46])[c:17]2[O:18][c:19]2[c:20]([O:25][CH3:26])[cH:21][cH:22][cH:23][cH:24]2)[n:6][cH:7]1

참가 물질

3

반응물 2

HCID 73974-Toluenesulfonyl chlorideHCID 181842545-methyl-N-[6-(2-aminoethoxy)-5-(o-methoxyphenoxy)-2-(4-pyridyl)-4-pyrimidinyl]-2-pyridine sulfonamide

생성물 1

HCID 181842495-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-pyridin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide

출처 및 근거

ORD 기록
ord-c46764de6ee64f4d847e4dbb76f0d84e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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