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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → N-(2-Methyl-3-(5-(5-(4-methylpiperazin-1-yl)pyridine-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

HRID 289325
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HRID 289325 반응식
[CH3:1][O:2][c:3]1[c:4]([NH:28][c:29]2[n:30][cH:31][c:32]([N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:33][cH:34]2)[cH:5][c:6](-[c:9]2[c:10]([CH3:27])[c:11]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]4[c:21]([s:22]3)[CH2:23][CH2:24][CH2:25][CH2:26]4)[cH:12][cH:13][cH:14]2)[cH:7][n:8]1.[Cl:43][CH2:44][Cl:45].[ClH:42].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46]>>[O:2]=[c:3]1[c:4]([NH:28][c:29]2[n:30][cH:31][c:32]([N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:33][cH:34]2)[cH:5][c:6](-[c:9]2[c:10]([CH3:27])[c:11]([NH:15][C:16](=[O:17])[c:18]3[cH:19][c:20]4[c:21]([s:22]3)[CH2:23][CH2:24][CH2:25][CH2:26]4)[cH:12][cH:13][cH:14]2)[cH:7][nH:8]1
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반응물 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 59740597N-(3-(6-Methoxy-5-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)pyridine-3-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-carboxamide

생성물 1

HCID 59740580
N-(2-Methyl-3-(5-(5-(4-methylpiperazin-1-yl)pyridine-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide

출처 및 근거

ORD 기록
ord-301fc10af0a04d9680ed41eeebca15a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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