1-(4-Aminobutyl)pyrrolidin-3-ol → 3-[(2,5-Difluoro-4-methylphenyl)methoxy]-5-[4-(3-hydroxypyrrolidin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxamide

HRID 134278

반응식

HRID 134278 반응식
[NH2:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]1.[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:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]1[CH2:36][CH:37]([OH:40])[CH2:38][CH2:39]1

참가 물질

3

반응물 2

HCID 185505001-(4-Aminobutyl)pyrrolidin-3-olHCID 54330906[4-Carbamoyl-3-(2,5-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]carbamic acid phenyl ester

생성물 1

HCID 98699103-[(2,5-Difluoro-4-methylphenyl)methoxy]-5-[4-(3-hydroxypyrrolidin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxamide

출처 및 근거

ORD 기록
ord-4a3565beb1924a67bac18a1ada5d5a1d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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