N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → N-cyano-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine

반응식

[C:22](#[N:23])[NH:24][C:25]([O:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[N:33][CH2:34][CH2:35][CH2:36][O:37][c:38]1[cH:39][c:40]([CH2:44][N:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[cH:41][cH:42][cH:43]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH2:6])[CH2:7][CH2:8][CH:9]([c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:25]([NH:24][C:22]#[N:23])=[N:33][CH2:34][CH2:35][CH2:36][O:37][c:38]1[cH:39][c:40]([CH2:44][N:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[cH:41][cH:42][cH:43]1)[CH2:7][CH2:8][CH:9]([c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1

참가 물질

반응물 2

HCID 13486636N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea

HCID 19762511HCID 19762511, 화합물

생성물 1

HCID 54535952N-cyano-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine

출처 및 근거

ORD 기록: ord-157aa61115b945419133f878dc8e9eda
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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