Hydrogen Bromide → 5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)-N-(2-oxotetrahydrofuran-3-yl)pentanamide

HRID 318497

반응식

HRID 318497 반응식
[BrH:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[cH:39][cH:40]2)[cH:41][cH:42]1.[NH2:44][CH:45]1[C:46](=[O:47])[O:48][CH2:49][CH2:50]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([CH3:20])[c:11]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:12][cH:13][cH:14]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[NH:44][CH:45]3[C:46](=[O:47])[O:48][CH2:49][CH2:50]3)[cH:39][cH:40]2)[cH:41][cH:42]1

참가 물질

4

반응물 3

HCID 260Hydrogen BromideHCID 73509Homoserine LactoneHCID 185122255-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)pentanoic Acid

생성물 1

HCID 102833015-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)-N-(2-oxotetrahydrofuran-3-yl)pentanamide

출처 및 근거

ORD 기록
ord-0315092d666d4f59b63be472c9c24f5a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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