Dichloromethane → 3,5-Diamino-6-chloro-pyrazine-2-carboxylic acid {2-[(4-amino-butyl)-methyl-amino]-ethyl}-amide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86656659[4-({2-[(3,5-Diamino-6-chloro-pyrazine-2-carbonyl)-amino]-ethyl}-methyl-amino)-butyl]-carbamic acid tert-butyl ester

생성물 1

HCID 866566603,5-Diamino-6-chloro-pyrazine-2-carboxylic acid {2-[(4-amino-butyl)-methyl-amino]-ethyl}-amide

출처 및 근거

ORD 기록: ord-9a993942cfe748738a9b460353b9578f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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