5-Isocyanatoisoquinoline → N-[3-fluoro-4-(1-piperidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea

반응식

[F:1][c:2]1[cH:3][c:4]([CH2:5][NH2:6])[cH:7][cH:8][c:9]1[N:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[N:16](=[C:17]=[O:18])[c:19]1[c:20]2[cH:21][c:22]([CH3:29])[n:23][cH:24][c:25]2[cH:26][cH:27][cH:28]1.[N:30]([c:31]1[cH:32][cH:33][cH:34][c:35]2[c:36]1[cH:37][cH:38][n:39][cH:40]2)=[C:41]=[O:42]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:17]([NH:16][c:19]2[c:20]3[cH:21][c:22]([CH3:29])[n:23][cH:24][c:25]3[cH:26][cH:27][cH:28]2)=[O:18])[cH:7][cH:8][c:9]1[N:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1

참가 물질

반응물 3

HCID 115863575-Isocyanatoisoquinoline

HCID 222283825-Isocyanato-3-methylisoquinoline

HCID 223376873-Fluoro-4-(1-piperidinyl)benzylamine

생성물 1

HCID 10318354N-[3-fluoro-4-(1-piperidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea

출처 및 근거

ORD 기록: ord-df4b36720fc348eb839d8ff6d868626e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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