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Hydrochloric Acid → Ethyl 6-(6-(3-ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1-((1-(2-morpholinoethyl)pyrrolidin-3-yl)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

HRID 133955
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HRID 133955 반응식
[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:33])[c:16]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:17][n:18]([CH2:22][CH:23]4[CH2:24][NH:25][CH2:26][CH2:27]4)[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:43].[CH3:55][OH:56].[ClH:44].[O:46]1[CH2:47][CH2:48][N:49]([CH2:52][CH:53]=[O:54])[CH2:50][CH2:51]1.[OH2:45]>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][c:8](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[c:9](-[c:12]2[cH:13][c:14]3[c:15](=[O:33])[c:16]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:17][n:18]([CH2:22][CH:23]4[CH2:24][N:25]([CH2:53][CH2:52][N:49]5[CH2:48][CH2:47][O:46][CH2:51][CH2:50]5)[CH2:26][CH2:27]4)[c:19]3[cH:20][cH:21]2)[cH:10][n:11]1)=[O:43]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 15193302-MorpholinoacetaldehydeHCID 59617720Ethyl 6-(6-(3-ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-4-oxo-1-(pyrrolidin-3-ylmethyl)-1,4-dihydroquinoline-3-carboxylate

생성물 1

HCID 59415909
Ethyl 6-(6-(3-ethylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1-((1-(2-morpholinoethyl)pyrrolidin-3-yl)methyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate

출처 및 근거

ORD 기록
ord-ca9f0cee132741e49cfe2b0c1dd0dae6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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