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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2',4-dimethyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

HRID 155878
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HRID 155878 반응식
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH2:39]1[CH2:40][O:41][CH2:42][CH2:43][NH:44]1.[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[c:31]([CH3:38])[cH:32][c:33]([CH:36]=[O:37])[cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:45][C:46](=[O:47])[OH:48].[Cl:63][CH:64]([Cl:65])[CH3:66].[Cl:67][CH2:68][Cl:69].[Na+:62]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[cH:15][c:16](-[c:30]3[c:31]([CH3:38])[cH:32][c:33]([CH2:36][N:44]4[CH2:39][CH2:40][O:41][CH2:42][CH2:43]4)[cH:34][cH:35]3)[cH:17][c:18]([N:21]([CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:28][CH3:29])[c:19]2[CH3:20])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1
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참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 86672659HCID 86672659, 화합물

생성물 1

HCID 70872467
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2',4-dimethyl-4'-(morpholinomethyl)-[1,1'-biphenyl]-3-carboxamide

출처 및 근거

ORD 기록
ord-669135b44f2a453f8c81a2b1dd90b024
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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