(4-Piperidinophenyl)methylamine → N-(3-amino-5-isoquinolinyl)-N'-[4-(1-piperidinyl)benzyl]urea

반응식

[Cl:33][C:34]([Cl:35])([Cl:36])[C:37]([NH:38][c:39]1[cH:40][cH:41][cH:42][c:43]2[c:44]1[cH:45][cH:46][n:47][cH:48]2)=[O:49].[N:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:11][NH2:12])[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[NH2:15][c:16]1[n:17][cH:18][c:19]2[cH:20][cH:21][cH:22][c:23]([NH:26][C:27]([C:28]([Cl:29])([Cl:30])[Cl:31])=[O:32])[c:24]2[cH:25]1>>[N:1]1([c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][C:27]([NH:26][c:23]3[cH:22][cH:21][cH:20][c:19]4[cH:18][n:17][c:16]([NH2:15])[cH:25][c:24]43)=[O:32])[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 2795551(4-Piperidinophenyl)methylamine

HCID 88932512,2,2-trichloro-N-isoquinolin-5-ylacetamide

HCID 22337669N-(3-amino-5-isoquinolinyl)-2,2,2-trichloroacetamide

생성물 1

HCID 10248898N-(3-amino-5-isoquinolinyl)-N'-[4-(1-piperidinyl)benzyl]urea

출처 및 근거

ORD 기록: ord-39afc7b721554b9eb265fd47ebbbdadb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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