1-(3-Aminopropyl)-4-methylpiperazine → 3-(2-Fluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

HRID 115006

반응식

HRID 115006 반응식
[CH3:29][N:30]1[CH2:31][CH2:32][N:33]([CH2:36][CH2:37][CH2:38][NH2:39])[CH2:34][CH2:35]1.[c:1]1([O:2][C:8]([NH:9][c:10]2[c:11]([C:25]([NH2:26])=[O:27])[c:12]([O:15][CH2:16][c:17]3[c:18]([F:24])[cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[n:13][s:14]2)=[O:28])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[c:11]([C:25]([NH2:26])=[O:27])[c:12]([O:15][CH2:16][c:17]2[c:18]([F:24])[cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[n:13][s:14]1)(=[O:28])[NH:39][CH2:38][CH2:37][CH2:36][N:33]1[CH2:32][CH2:31][N:30]([CH3:29])[CH2:35][CH2:34]1

참가 물질

3

반응물 2

HCID 783281-(3-Aminopropyl)-4-methylpiperazineHCID 53768581[4-Carbamoyl-3-(2-fluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

생성물 1

HCID 98472773-(2-Fluoro-4-methyl-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic Acid Amide

출처 및 근거

ORD 기록
ord-8da470ce9ea0450ea455debd6351015b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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