1-Butylpiperazine → 4-(3-(3-((4-butylpiperazin-1-yl)(imino)methyl)phenyl)ureido)-N-(4-sulfamoylphenyl)benzenesulfonamide

반응식

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

참가 물질

반응물 2

HCID 4243221-Butylpiperazine

HCID 574961784-(3-(3-cyanophenyl)ureido)-N-(4-sulfamoylphenyl)benzenesulfonamide

생성물 1

HCID 574961394-(3-(3-((4-butylpiperazin-1-yl)(imino)methyl)phenyl)ureido)-N-(4-sulfamoylphenyl)benzenesulfonamide

출처 및 근거

ORD 기록: ord-5b76bb2c026c477aa5e53c2a040f85fd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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