2,2,2-trichloro-N-isoquinolin-5-ylacetamide → N-(3-amino-5-isoquinolinyl)-N'-[4-(1-azepanyl)benzyl]urea

반응식

[Cl:34][C:35]([Cl:36])([Cl:37])[C:38]([NH:39][c:40]1[cH:41][cH:42][cH:43][c:44]2[c:45]1[cH:46][cH:47][n:48][cH:49]2)=[O:50].[N:1]1([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH2:13])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[NH2:16][c:17]1[n:18][cH:19][c:20]2[cH:21][cH:22][cH:23][c:24]([NH:27][C:28]([C:29]([Cl:30])([Cl:31])[Cl:32])=[O:33])[c:25]2[cH:26]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH:13][C:28]([NH:27][c:24]3[cH:23][cH:22][cH:21][c:20]4[cH:19][n:18][c:17]([NH2:16])[cH:26][c:25]43)=[O:33])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

참가 물질

반응물 3

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

HCID 22337561[4-(Azepan-1-YL)phenyl]methanamine

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

생성물 1

HCID 10452949N-(3-amino-5-isoquinolinyl)-N'-[4-(1-azepanyl)benzyl]urea

출처 및 근거

ORD 기록: ord-60086d937bfe450cbc1abe465ee8b325
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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