1H-Indazol-4-amine, 1-methyl- → N-[4-(1-azepanyl)benzyl]-N'-(1-methyl-1H-indazol-4-yl)urea

HRID 161926

반응식

HRID 161926 반응식
[CH3:18][n:19]1[n:20][cH:21][c:22]2[c:23]([NH2:28])[cH:24][cH:25][cH:26][c:27]12.[N:1](=[C:2]=[O:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:9][cH:10]1.[nH:29]1[c:30]2[cH:31][cH:32][cH:33][c:34]([NH2:35])[c:36]2[cH:37][n:38]1>>[NH:1]([C:2](=[O:3])[NH:28][c:23]1[c:22]2[cH:21][n:20][n:19]([CH3:18])[c:27]2[cH:26][cH:25][cH:24]1)[CH2:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:9][cH:10]1

참가 물질

4

반응물 3

HCID 1538381H-Indazol-4-amine, 1-methyl-HCID 413085NoName_3327HCID 223377021-[4-(Isocyanatomethyl)phenyl]azepane

생성물 1

HCID 22337694N-[4-(1-azepanyl)benzyl]-N'-(1-methyl-1H-indazol-4-yl)urea

출처 및 근거

ORD 기록
ord-c5c694d832934b2b965c400abd851d45
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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