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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3-(4-(Methylcarbamoyl)piperazin-1-yl)propanoic acid → 4-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-methylpiperazine-1-carboxamide

HRID 202451
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HRID 202451 반응식
[CH3:35][NH:36][C:37](=[O:38])[N:39]1[CH2:40][CH2:41][N:42]([CH2:45][CH2:46][C:47](=[O:48])[OH:49])[CH2:43][CH2:44]1.[NH2:1][CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1>>[NH:1]([CH2:2][C:3](=[O:4])[N:5]([CH3:6])[c:7]1[c:8]([Cl:34])[c:9]([CH2:14][O:15][c:16]2[cH:17][cH:18][cH:19][c:20]3[n:21]([CH2:27][c:28]4[n:29][cH:30][cH:31][cH:32][cH:33]4)[c:22]([O:25][CH3:26])[n:23][c:24]23)[c:10]([Cl:13])[cH:11][cH:12]1)[C:47]([CH2:46][CH2:45][N:42]1[CH2:41][CH2:40][N:39]([C:37]([NH:36][CH3:35])=[O:38])[CH2:44][CH2:43]1)=[O:48]
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참가 물질

3

반응물 2

HCID 611877693-(4-(Methylcarbamoyl)piperazin-1-yl)propanoic acidHCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamide

생성물 1

HCID 566496704-(3-((2-((2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)(methyl)amino)-2-oxoethyl)amino)-3-oxopropyl)-N-methylpiperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-70f17530b8894854aebb88d4816b3feb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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