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Methanol → 1-[4-(4-Amino-3-chlorophenoxy)pyridin-2-yl]-3-[3-(1-methylpiperazin-4-yl)propyl]urea

HRID 116166
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HRID 116166 반응식
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:34][N:35]1[CH2:36][CH2:37][N:38]([CH2:41][CH2:42][CH2:43][NH2:44])[CH2:39][CH2:40]1.[CH3:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:14][cH:15]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[NH2:1][c:2]1[c:3]([Cl:16])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:25](=[O:26])[NH:44][CH2:43][CH2:42][CH2:41][N:38]3[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]3)[n:10][cH:11][cH:12]2)[cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 887MethanolHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 15891Phenyl chloroformateHCID 783281-(3-Aminopropyl)-4-methylpiperazine
HCID 22936798
4-(4-Amino-3-chlorophenoxy)pyridin-2-ylamine

생성물 1

HCID 231529661-[4-(4-Amino-3-chlorophenoxy)pyridin-2-yl]-3-[3-(1-methylpiperazin-4-yl)propyl]urea

출처 및 근거

ORD 기록
ord-c6cec1e5fee943fa8279a3a5323122f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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