6-(Dimethylamino)hexylamine → 3-(2,5-Difluoro-4-methyl-benzyloxy)-5-[3-(6-dimethylamino-hexyl)-ureido]isothiazole-4-carboxylic acid amide

HRID 1204022

반응식

HRID 1204022 반응식
[CH3:30][N:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][NH2:38])[CH3:39].[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:26]([NH2:27])=[O:28])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:25])[cH:19][c:20]([CH3:24])[c:21]([F:23])[cH:22]3)[n:13][s:14]2)=[O:29])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:26]([NH2:27])=[O:28])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:25])[cH:19][c:20]([CH3:24])[c:21]([F:23])[cH:22]2)[n:13][s:14]1)(=[O:29])[NH:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][N:31]([CH3:30])[CH3:39]

참가 물질

3

반응물 2

HCID 2585446-(Dimethylamino)hexylamineHCID 54330906[4-Carbamoyl-3-(2,5-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]carbamic acid phenyl ester

생성물 1

HCID 99343703-(2,5-Difluoro-4-methyl-benzyloxy)-5-[3-(6-dimethylamino-hexyl)-ureido]isothiazole-4-carboxylic acid amide

출처 및 근거

ORD 기록
ord-9852b13cc0ee4926b115ef336815f94b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

불러오는 중…