1-Amino-5-isopropylamino-pentan-3-ol → 5-[3-(3-Hydroxy-5-isopropylamino-pentyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

HRID 691062

반응식

HRID 691062 반응식
[NH2:31][CH2:32][CH2:33][CH:34]([CH2:35][CH2:36][NH:37][CH:38]([CH3:39])[CH3:40])[OH:41].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]3[F:23])[n:13][s:14]2)=[O:30])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:27]([NH2:28])=[O:29])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:26])[c:19]([F:25])[c:20]([CH3:24])[cH:21][c:22]2[F:23])[n:13][s:14]1)(=[O:30])[NH:31][CH2:32][CH2:33][CH:34]([CH2:35][CH2:36][NH:37][CH:38]([CH3:39])[CH3:40])[OH:41]

참가 물질

3

반응물 2

HCID 185507511-Amino-5-isopropylamino-pentan-3-olHCID 54053016[4-Carbamoyl-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

생성물 1

HCID 104361355-[3-(3-Hydroxy-5-isopropylamino-pentyl)-ureido]-3-(2,3,6-trifluoro-4-methyl-benzyloxy)-isothiazole-4-carboxylic acid amide

출처 및 근거

ORD 기록
ord-e1aafc02c14547818af41c270aee14f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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