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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → 4-(2-((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)-2-oxoethyl)-N-methylmorpholine-2-carboxamide

HRID 149445
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HRID 149445 반응식
[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[O:6][CH2:7][CH2:8][N:9]([CH2:11][C:12](=[O:13])[OH:14])[CH2:10]1.[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[NH2:15][CH2:16][C:17](=[O:18])[N:19]([CH3:20])[c:21]1[c:22]([Cl:48])[c:23]([CH2:28][O:29][c:30]2[cH:31][cH:32][cH:33][c:34]3[n:35]([CH2:41][c:42]4[n:43][cH:44][cH:45][cH:46][cH:47]4)[c:36]([O:39][CH3:40])[n:37][c:38]23)[c:24]([Cl:27])[cH:25][cH:26]1>>[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[O:6][CH2:7][CH2:8][N:9]([CH2:11][C:12](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[N:19]([CH3:20])[c:21]2[c:22]([Cl:48])[c:23]([CH2:28][O:29][c:30]3[cH:31][cH:32][cH:33][c:34]4[n:35]([CH2:41][c:42]5[n:43][cH:44][cH:45][cH:46][cH:47]5)[c:36]([O:39][CH3:40])[n:37][c:38]34)[c:24]([Cl:27])[cH:25][cH:26]2)[CH2:10]1
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반응물 3

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 667603852-amino-N-(2,4-dichloro-3-(((2-methoxy-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazol-4-yl)oxy)methyl)phenyl)-N-methylacetamideHCID 66760446HCID 66760446, 화합물

생성물 1

HCID 568400184-(2-((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)-2-oxoethyl)-N-methylmorpholine-2-carboxamide

출처 및 근거

ORD 기록
ord-c12bb848bca44b4d84ae8cbdea83b66e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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