N-cyano-O-phenyl-N'-[3-(3-(piperidinomethyl)phenoxy]propyl]isourea → N-cyano-N'-[4-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]butyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine

반응식

[C:23](#[N:24])[NH:25][C:26]([O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[N:34][CH2:35][CH2:36][CH2:37][O:38][c:39]1[cH:40][c:41]([CH2:45][N:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[cH:42][cH:43][cH:44]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH2:7])[CH2:8][CH2:9][CH:10]([c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:26]([NH:25][C:23]#[N:24])=[N:34][CH2:35][CH2:36][CH2:37][O:38][c:39]1[cH:40][c:41]([CH2:45][N:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[cH:42][cH:43][cH:44]1)[CH2:8][CH2:9][CH:10]([c:11]1[n:12][cH:13][cH:14][cH:15][cH:16]1)[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1

참가 물질

반응물 2

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

HCID 19762597N-methyl-N-[3-phenyl-3-(2-pyridyl)propyl]-1,4-butanediamine

생성물 1

HCID 54275935N-cyano-N'-[4-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]butyl]-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine

출처 및 근거

ORD 기록: ord-40fcaa86af844f7f9ef68a3a3e1d78c7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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