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Methanol → N-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]urea

HRID 1230384
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HRID 1230384 반응식
[C:22](=[O:23])([n:24]1[cH:25][cH:26][n:27][cH:28]1)[n:29]1[cH:30][cH:31][n:32][cH:33]1.[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[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.[CH3:48][OH:49].[NH:34]([C:35](=[NH:36])[NH2:37])[c:38]1[s:39][cH:40][c:41]([CH2:43][S:44][CH2:45][CH2:46][NH2:47])[n:42]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:22](=[O:23])[NH:47][CH2:46][CH2:45][S:44][CH2:43][c:41]1[cH:40][s:39][c:38]([NH:34][C:35](=[NH:36])[NH2:37])[n:42]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 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 8857Ethyl AcetateHCID 682631,1'-CarbonyldiimidazoleHCID 19762511HCID 19762511, 화합물HCID 1785127232-[4-(2-Aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine

생성물 1

HCID 178483843N-[2-[[(2-guanidino-4-thiazolyl)methyl]thio]ethyl]-N'-[3-[N-[3-phenyl-3-(2-pyridyl)propyl]-N-methylamino]propyl]urea

출처 및 근거

ORD 기록
ord-3ba8238a8f434088b20cc07ac553be7f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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