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Ethylene Glycol → Bosentan

HRID 97752
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HRID 97752 반응식
[Ba+2:39].[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[NH:15][c:16]2[n:17][c:18](-[c:32]3[n:33][cH:34][cH:35][cH:36][n:37]3)[n:19][c:20]([Cl:31])[c:21]2[O:22][c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:10][cH:11]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[K:1].[OH-:38].[OH-:40].[OH:41][CH2:42][CH2:43][OH:44]>>[Ba:39].[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[NH:15][c:16]2[n:17][c:18](-[c:32]3[n:33][cH:34][cH:35][cH:36][n:37]3)[n:19][c:20]([O:41][CH2:42][CH2:43][OH:44])[c:21]2[O:22][c:23]2[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 174Ethylene GlycolHCID 961Hydroxide2회HCID 1140TolueneHCID 104810Barium ionHCID 5462222PotassiumHCID 111351604-Tert-butyl-n-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide

생성물 2

HCID 104865
Bosentan
HCID 5355457Barium

출처 및 근거

ORD 기록
ord-5a1edcf32c7f447eb6973848e8d2a23d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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